ESTIMATING
TOXICITY
OF
INDUSTRIAL
CHEMICALS
TO
AQUATIC
ORGANISMS
USING
STRUCTURE­
ACTIVITY
RELATIONSHIPS
Edited
by:

Richard
G.
Clements
Contributors:

R.
G.
Clements
J.
V.
Nabholz
M.
Zeeman
Environmental
Effects
Branch
Health
and
Environmental
Review
Division
Office
of
Pollution
Prevention
and
Toxics
U.
S.
Environmental
Protection
Agency
Washington,
DC
20460
August
30,
1996
ESTIMATING
TOXICITY
OF
INDUSTRIAL
CHEMICALS
TO
AQUATIC
ORGANISMS
USING
STRUCTURE­
ACTIVITY
RELATIONSHIPS
Edited
by:

Richard
G.
Clements
Contributors:

R.
G.
Clements
J.
V.
Nabholz
M.
Zeeman
Environmental
Effects
Branch
Health
and
Environmental
Review
Division
Office
of
Pollution
Prevention
and
Toxics
U.
S.
Environmental
Protection
Agency
Washington,
DC
20460
August
30,
1996
DISCLAIMER
This
document
has
been
reviewed
and
approved
for
publication
by
the
Office
of
Pollution
Prevention
and
Toxics,
U.
S.
Environmental
Protection
Agency.
Approval
does
not
signify
that
the
contents
necessarily
reflect
the
views
and
policies
of
the
Environmental
Protection
Agency,
nor
does
the
mention
of
trade
names
or
commercial
products
constitute
endorsement
or
recommendation
for
use.
FORWARD
to
the
SECOND
EDITION
As
discussed
in
the
FORWARD
to
the
first
edition
of
Estimating
Toxicity
of
Industrial
Chemicals
to
Aquatic
Organisms
Using
Structure­
Activity
Relationships,
the
development
of
predictive
ecotoxicology
models
for
industrial
chemicals
creates
challenges
that
are
unique
compared
to
those
faced
in
drug
or
agrichemical
design.
Under
the
requirements
of
the
Toxic
Substances
Control
Act
there
is,
however,
no
choice
but
to
face
these
challenges
and
provide
the
means
to
assess
the
ecological
risks
of
new
and
existing
compounds.

Since
releasing
their
first
edition
in
1988,
the
scientists
within
the
Environmental
Effects
Branch
of
the
Office
of
Pollution
Prevention
and
Toxics
have
continued
to
develop
property­
activity
correlations
that
are
relevant
for
industrial
chemicals
found
in
commerce.
In
publish
the
second
edition
of
Estimating
Toxicity
of
Industrial
Chemicals
to
Aquatic
Organisms
Using
Structure­
Activity
Relationships,
the
contributors
have
once
again
demonstrated
their
commitment
to
share
the
results
of
these
efforts
with
the
scientific
and
regulatory
community.
This
second
edition
contains
over
70
additional
property­
activity
correlations
and
is
a
companion
document
to
ECOSAR,
which
is
a
computerized
version
of
the
relationships
developed
by
the
contributors.
Through
this
on­
going
contribution
to
the
world­
wide
'structure­
activity
relationship
knowledge
base',
the
scientist
in
the
Environmental
Effects
Branch
are
also
providing
the
means
to
identify
first­
order
uncertainties
in
the
development
and
use
of
these
predictive
models.
The
influence
of
the
first
and
second
edition
on
the
application
of
structure­
activity
relationships
and
the
course
of
future
research
in
are
of
environmental
toxicology
can
not
be
minimized.
Of
particular
interest
is
the
continuing
to
develop
models
for
chronic
effects
and
to
establish
objective
techniques
whereby
compounds
can
be
assigned
to
specific
relationships.

Again,
I
congratulate
the
contributors
to
this
document
for
their
dedication
in
implementing
structure­
activity
relationships
in
ecological
risk
assessments
and
for
fostering
the
exchange
of
information
that
is
essential
for
the
advancement
of
the
field.

Steven
Bradbury
Associate
Director
for
Research
Environmental
Research
Laboratory
U.
S.
Environmental
Protection
Agency
Duluth,
Minnesota
April,
1995
FORWARD
The
world
of
the
scientist
in
a
regulatory
agency
which
is
responsible
for
chemical
safety
is
quite
different
from
that
in
physical
organic
chemistry,
toxicology,
or
drug
design.
Nothing
highlights
the
difference
quite
like
the
scientists
who
implement
the
EPA
mandate
to
review
industrial
chemicals
for
health
and
environmental
effects.
More
conventional
research
scientists
work
in
data­
rich
areas
where
chemical
models
are
comparatively
precise.
Only
under
the
Toxic
Substances
Control
Act
(TSCA),
implemented
by
the
Office
of
Toxic
Substances,
can
we
find
the
responsibility
to
evaluate
the
broad
spectrum
of
chemical
safety
with
little
or
no
data
on
either
new
or
existing
chemicals.

These
scientist
responded
to
the
EPA
responsibilities
by
adapting
approaches
used
in
drug
design
and
chemistry
to
predict
the
environmental
behavior
and
toxicology
of
chemicals
from
their
structure
rather
than
extensive
test
data.
The
Office
of
Research
and
Development
has
enjoyed
a
tenyear
partnership
with
the
Office
of
Toxic
Substances
in
developing
quantitative
structure­
activity
relationships
to
estimate
the
bioaccumulation
potential,
the
persistence,
and
the
toxicity
of
chemicals
in
the
environment.
Much
developmental
work
remains
to
be
done
in
efforts
to
more
thoroughly
evaluate
chronic
effects
of
long
term
exposure;
nonetheless,
many
relationships
are
adequate
to
assist
regulatory
scientists
in
making
judgements
concerning
the
risks
of
chemicals.

As
we
continue
to
improve
our
understanding
of
relationships
between
chemical
structure
and
effects,
the
Environmental
Effects
Branch
realized
the
value
of
this
technology
to
other
scientists
in
EPA
Regions
and
states.
Their
initiative
to
summarize
the
state­
of­
the­
art
in
this
document
and
make
it
available
to
others
is
another
example
of
the
futuristic
planning
of
this
group.
The
predictive
power
of
the
methods
included
in
this
document
varies
with
the
available
data
and
complexity
of
the
toxicity
mechanisms.
However,
the
predictive
power
will
continue
to
increase
over
the
next
decade
as
new
chemical
models
are
formed.
I
congratulate
the
contributors
to
this
document
for
the
increasing
effort
to
formulate
structure­
activity
relationships
from
scant
data,
and
for
their
desire
to
share
this
work
with
others
in
the
scientific
and
regulatory
community.

Gilman
D.
Veith
Director
Environmental
Research
Laboratory
U.
S.
Environmental
Protection
Agency
Duluth,
Minnesota
Jun,
1988
1
INTRODUCTION
For
many
years,
the
manufacturers
of
pharmaceuticals,
pesticides,
and
dyes
have
used
the
relationship
between
chemical
structure
and
a
specific
effect
to
search
for
new
chemicals.
These
relationships
are
called
structure­
activity
relationships
(SARs).
Under
Section
5
of
the
Toxic
Substances
Control
Act
of
1976,
EPA
must
review
and
evaluate
all
new
chemicals
before
enter
they
enter
commerce.
The
Environmental
Effects
Branch
(EEB)
of
OPPT
has
been
responsible
for
the
assessment
and
evaluation
of
these
new
chemicals
and
for
identifying
those
chemicals
of
greatest
concern
for
environmental
hazard.
Since
1976,
of
all
chemicals
submitted
to
EPA
under
Section
5
of
TSCA,
fewer
than
5%
of
the
Premanufacture
Notices
have
contained
toxicity
data
pertaining
to
terrestrial
and
aquatic
organisms.
To
meet
its
regulatory
mandate,
EEB
began
using
SARs
in
1979
to
estimate
the
toxicity
of
chemicals
in
the
absence
of
test
data.

The
application
of
SARs
in
the
field
of
environmental
toxicology
is
relatively
new.
Some
of
the
early
research
work
began
in
the
1960's.
During
the
1970's,
many
investigators
began
examining
the
relationships
among
chemical
properties
and
the
toxicity
to
aquatic
and
terrestrial
organisms.
Among
the
leaders
in
this
area
was
the
U.
S.
EPA
Environmental
Research
Laboratory
at
Duluth
(ERL­
Duluth)
who
pioneered
research
in
the
development
and
application
of
SARs
to
environmental
toxicology.
In
the
mid­
1970's
they
developed
and
later
published
the
SAR
for
predicting
the
bioconcentration
of
neutral
organic
compounds
in
fish
based
upon
the
octanol/
water
partition
coefficient.
In
1979,
they
initiated
a
long­
term
research
program
to
develop
SARs
for
industrial
organic
chemicals.
Between
1981
and
1983,
EEB
staff
evaluated
and
adopted
13
of
these
SARs
for
use
in
predicting
toxicity
to
fish,
aquatic
invertebrates,
and
green
algae.
To
date,
the
scientists
at
ERL­
Duluth
have
measured
the
toxicity
of
over
800
compounds.
From
this
research,
they
have
developed
SARs
for
at
least
a
dozen
classes
of
compounds
to
both
freshwater
and
marine
fish.
Recently,
emphasis
at
ERL­
Duluth
has
shifted
toward
SARs
for
chronic
toxicity
with
numerous
chronic
values
now
being
published.

The
octanol/
water
partition
coefficient
(Kow
)
has
been
the
major
attribute
used
by
most
investigators
to
correlate
structure
and
toxic
effect.
The
most
frequently
used
relationship
is
the
logarithm
of
the
Kow
versus
the
logarithm
of
the
median
toxicity
(LC50
and
EC50
)
value.
To
date
the
major
focus
has
been
centered
around
the
class
of
industrial
organic
chemicals
known
as
neutral
organics.
These
compounds
are
non­
ionizable,
non­
reactive
and
neutral
with
respect
to
charge;
however,
SARs
have
been
developed
for
other
classes
of
chemicals
and
new
ones
continue
to
be
derived
as
data
become
available.

This
manual
is
intended
to
accompany
an
SAR
program,
called
ECOSAR,
that
has
been
developed
by
EEB
for
use
on
a
personal
computer.
ECOSAR
is
menu­
driven
and
contains
on­
line
help,
including
a
User's
Guide.
ECOSAR
includes
all
of
the
chemical
classes
and
SARs
contained
in
this
manual.
Most
toxicity
values
(in
mg/
L)
are
based
on
log
Kow
and
molecular
weight
information
supplied
by
the
user,
although
as
discussed
below,
some
SARs
require
other
physical
data,
such
as
number
of
ethoxylates
or
percent
amine
nitrogen.
ECOSAR
may
be
obtained
from
the
sources
listed
at
the
end
of
the
Introduction.

Chemical
Classes
This
manual
presents
information
for
deriving
toxicity
values
for
four
primary
classes
of
chemicals:

(1)
Neutral
organics
that
are
nonreactive
and
nonionizable;
(2)
Organics
that
are
reactive
and
ionizable
and
that
exhibit
excess
toxicity
in
addition
to
narcosis;
(3)
Surface­
active
organic
compounds
such
as
surfactants
and
polycationic
polymers;
and
(4)
Inorganic
compounds
including
organometallics.
2
Neutral
organic
compounds
that
are
nonelectrolytic
and
nonreactive
act
as
anesthetics
or
narcotics.
This
class
of
compounds
includes
alcohols,
ketones,
ethers,
alkyl
halides,
aryl
halides,
aromatic
hydrocarbons,
aliphatic
hydrocarbons,
many
cyanates,
sulfides,
and
disulfides.

Organic
compounds
with
a
more
specific
mode
of
toxicity
may
contain
reactive
functional
groups
such
as
electrophilic
moieties.
These
compounds
are
more
toxic
than
would
be
predicted
by
using
an
SAR
for
a
narcotic
compound.
Chemicals
which
exhibit
excess
toxicity
include
acrylates,
methacrylates,
aldehydes,
anilines,
beta­
diketones
(linear
forms),
benzotriazoles,
esters,
phenols,
aziridines,
and
epoxides.
A
separate
SAR
has
been
developed
for
each
of
these
classes.

Surface­
active
chemicals
may
act
on
the
respiratory
membranes
of
aquatic
organisms.
These
chemicals
consist
primarily
of
surfactants
that
can
be
absorbed
through
respiratory
membranes
and
charged
polymers
that
cannot
be
absorbed.
SARs
have
been
developed
for
anionic
surfactants
such
as
linear
alkyl
benzene
sulfonates,
nonionic
surfactants
such
as
alcohol
ethoxylates
and
cationic
surfactants,
such
as
ethoxylated
beta­
amine
surfactants
(ethomeen)
and
linear
N­
alkyl
quaternary
ammonium
compounds.
The
SARs
for
surfactants
are
parabolic,
i.
e.,
toxicity
is
related
to
the
size
of
the
hydrophobic
component
in
a
parabolic
manner
when
the
size
of
the
hydrophilic
component
remains
constant.
The
size
of
the
hydrophobic
component,
usually
a
linear
alkyl
carbon
chain,
can
be
estimated
by
simply
counting
the
number
of
carbons
in
the
hydrophobic
alkyl
chain.
Maximum
toxicity
occurs
when
there
are
approximately
16
or
17
carbons
in
the
linear
alkyl
chain.
Toxicity
for
the
nonionic
surfactants
is
also
affected
by
the
number
of
ethoxylate
units
and
the
size
of
the
hydrophobe
and
the
number
of
ethoxy
groups
must
be
known
to
use
the
SAR.

Polycationic
polymers
include
those
with
primary,
secondary,
and
tertiary
amines
and/
or
quaternary
ammoniums,
phosphoniums,
and
sulfoniums.
The
molecular
descriptor
used
to
predict
toxicity
for
these
polymers
is
equivalent
charge
density
as
determined
from
chemical
structure,
i.
e.,
percent
amine­
nitrogen,
number
of
cationic
charges
per
1000
units
of
molecular
weight,
or
cation
equivalent
weight.
These
polymers
must
be
water
soluble
or
self­
dispersing
or
both.

Quantitative
SARs
have
not
been
developed
for
inorganic
compounds.
However,
in
lieu
of
such
equations,
water
quality
criteria
values
have
been
used
to
predict
their
toxicity.
Water
quality
criteria
have
been
developed
for
several
metals.
These
criteria
are
usually
indicative
of
the
lowest
concentration
that
is
believed
to
be
protective
of
aquatic
life
in
the
receiving
water.
Consequently,
most
criteria
are
expressed
only
for
acute
or
chronic
toxicity
to
freshwater
or
marine
organisms
in
general.
SAR
equations
will
eventually
be
developed
for
organometallics
based
on
their
Kow
values.

Some
chemical
classes
do
not
have
quantitative
SARs.
These
include
polyanionic
polymers,
cationic
dyes,
and
most
classes
of
pesticides.
Two
classes
of
polyanionic
polymers
are
known
to
be
toxic
to
aquatic
organisms;
polyaromatic
sulfonic
acids
are
moderately
toxic
to
aquatic
organisms;
and
polycarboxylic
acids
are
moderately
toxic
only
to
green
algae.
However,
the
high
molecular
weight
of
these
polymers
indicate
that
they
will
not
be
absorbed
through
the
surface
membranes
of
these
organisms
and
their
toxicity
is
the
result
of
their
surface
activity
and
is
not
correlated
with
their
anionic
charge
density.
Cationic
dyes
can
be
absorbed
and
are
known
to
be
highly
toxic
to
aquatic
organisms.
During
acute
exposure,
the
toxicity
of
these
dyes
is
believed
to
be
mostly
the
result
of
their
activity
on
the
surface
membrane
while
chronic
exposure
also
results
in
systemic
toxicity.
Dyes
with
delocalized
cationic
charges
may
be
more
toxic,
followed
by
dyes
with
four
localized
charges,
then
three
localized
charges,
etc.
Most
commercial
dyes
contain
impurities
which
may,
in
part,
be
responsible
for
some
of
the
toxic
effects
seen
in
these
dyes.
Acid
dyes
are
moderately
toxic
only
to
green
algae
which
results
more
from
shading
of
the
algae
by
the
dye
rather
than
from
direct
toxic
effects.
Data
on
which
to
validate
this
assumption
are
lacking
in
most
PMN
submissions.

How
SARs
Are
Developed
Work
sheets
were
developed
to
provide
pertinent
information
about
each
SAR,
especially
the
mathematical
procedures
for
calculating
toxicity
values
based
on
molecular
weight
and
Kow
.
Data
to
develop
3
new
SARs
are
entered
in
a
spreadsheet
that
allows
the
SAR
equations
to
be
calculated
based
on
a
measured
toxicity
values
(in
mmoles/
L)
and
an
estimated
Kow
.
Using
these
estimated
values,
regression
equations
can
be
developed
for
a
class
of
chemicals,
e.
g,
neutral
organics,
acrylates,
anionic
surfactants,
etc.
Toxicity
values
for
new
chemicals
may
then
be
calculated
by
inserting
the
estimated
Kow
into
the
regression
equation
and
correcting
the
resultant
values
for
the
molecular
weight
of
the
compound.

As
discussed
above,
the
mode
of
toxic
action
for
most
neutral
organics
appears
to
be
narcosis;
however,
some
organic
chemicals
have
a
more
specific
mode
of
toxicity
with
comparable
Kow
s
and
molecular
weights.
For
these
chemicals,
the
toxicity
is
also
related
to
the
Kow
and
as
the
Kow
decreases
(i.
e.,
as
the
chemicals
become
more
water
soluble),
the
amount
of
excess
toxicity
compared
to
neutral
organic
compounds
increases.
Consequently,
at
some
higher
Kow
the
toxicity
of
the
compound
is
not
significantly
different
from
the
toxicity
of
the
equivalent
neutral
organic.
For
organic
chemicals
which
haves
excess
toxicity
and
for
which
are
data
poor,
e.
g.,
amino
anilines,
a
neutral
organic
data
point
may
be
used
in
addition
to
the
measured
toxicity
value
to
give
a
regression
equation.
These
are
the
chemicals
that
have
a
N=
2
entry
under
statistics
but
show
only
one
chemical
in
the
list
of
chemicals
used
to
develop
the
SAR.
The
second
point
is
a
neutral
organic
Kow
value.
In
addition,
for
some
lists
of
chemicals
used
to
develop
the
SAR,
a
single
chemical
is
listed
more
than
once.
This
is
because
the
chemical
has
been
tested
more
than
once.
Each
toxicity
value
is
included
for
the
chemical
if
it
provides
a
reliable
data
point,
i.
e.,
if
a
second
study
confirmed
a
previously
derived
toxicity
value.

To
date,
over
100
SARs
have
been
developed
for
over
40
classes
of
organic
chemicals
(see
Table
1).
These
chemical
classes
include
neutral
organics,
surfactants,
polymers,
and
other
organic
compounds.
Most
of
the
SARs
are
for
acute
toxicity
to
fish
or
daphnids;
however,
acute
and
chronic
SARs
have
been
developed
for
other
organisms.
Some
classes,
such
as
acid
chlorides,
only
have
one
SAR
(e.
g.,
fish
96­
hour
LC50
),
while
for
other
classes
such
as
neutral
organics
more
than
10
SARs
have
been
developed
ranging
from
acute
and
chronic
SARs
for
fish
to
a
14­
day
LC50
for
earthworms
in
artificial
soil.
New
SARs
will
be
added
as
data
become
available.
This
manual
will
be
periodically
updated
to
reflect
the
additions.

Selecting
an
Appropriate
SAR
Selecting
the
appropriate
SAR
for
a
new
chemical
is
based
on
a
variety
of
chemical­
specific
information.
This
information
includes
the
exact
chemical
structure,
chemical
class,
predicted
Kow
,
molecular
weight
of
the
compound,
physical
state,
water
solubility,
number
of
carbons
or
ethoxylates
or
both,
and
percent
amine
nitrogen
or
number
of
cationic
charges
or
both,
per
1000
molecular
weight.
The
most
important
factor
for
deriving
a
SAR
is
the
chemical
class
as
SARs
are
chemical
class
specific.
An
alphabetical
listing
of
chemical
classes
and
appropriate
SARs
to
use
for
each
is
included
at
the
conclusion
of
this
section.

To
estimate
the
toxicity
to
aquatic
organisms
of
neutral,
nonreactive,
non­
ionizable
organics
and
organics
that
exhibit
excess
toxicity,
the
Kow
and
molecular
weight
are
required.
The
value
for
the
Kow
should
be
obtained
from
estimated
values
using
the
computer
program
CLOGP,
Version
3.3.
The
range
of
Kow
values
are
valid
to
estimate
the
toxicity
is
SAR
specific
and
is
given
for
each
SAR
in
a
chemical
class.
In
general,
when
the
log
Kow
is
less
than
or
equal
to
5.0,
valid
predictions
can
be
obtained
for
estimating
acute
toxicity
to
aquatic
organisms
from
neutral
organic
compounds.
If
the
log
Kow
is
greater
than
5.0,
the
decreased
solubility
of
a
compound
will
result
in
no
effects
in
a
saturated
solution
during
a
96­
hour
test
and
a
longer
exposure
duration
should
be
used
to
determine
the
LC50
.
For
chronic
exposures,
the
applicable
log
Kow
may
be
extended
up
to
8.0.
If
the
log
Kow
of
the
compound
exceeds
8.0,
no
adverse
effects
are
4
Table
1.
Existing
SARs
SAR
Class
Acute
Toxicity
Chronic
Toxicity
Other
Fish
Daphnid
Algae
Fish
Daphnid
Alga
e
Acid
chlorides
X
Acrylates
X
X
Acrylates,
methacrylates
X
Alcohols,
propargyl
X
Aldehydes
X
X
X
X
X
Amines,
aliphatic
X
X
X
X
Anilines
X
X
X
X
X
Anilines,
amino,
meta
or
1,3­
substituted
X
X
X
Anilines,
amino,
ortho
or
1,2­
substituted
X
X
X
Anilines,
amino,
para
or
1,4­
substituted
X
X
X
X
Anilines,
dinitroanilines
X
X
X
Aziridines
X
X
X
Benzenes,
dinitro
X
X
X
X
Benzotriazoles
X
X
X
Carbamates
X
Carbamates,
dithio
See
SAR
Title
Page
Crown
Ethers
See
SAR
Title
Page
Diazoniums,
aromatic
X
Epoxides,
monoepoxides
X
X
Epoxides,
diepoxides
X
X
Esters
X
X
X
X
Esters,
monoesters,
aliphatic
X
Esters,
diesters,
aliphatic
X
Esters,
phosphate
X
Esters,
phthalate
X
X
X
Hydrazines
X
X
X
Hydrazines,
semicarbazide,
alkyl
substituted
X
Hydrazines,
semicarbazides,
aryl,
meta/
para
substituted
X
Hydrazines,
semicarbazides,
aryl,
ortho
substituted
X
Imides
X
Ketones,
diketones,
aliphatic
X
X
X
X
Malononitriles
X
SAR
Class
Acute
Toxicity
Chronic
Toxicity
Other
Fish
Daphnid
Algae
Fish
Daphnid
Alga
e
5
Neutral
organics
X
X
X
X
X
X
X
Peroxy
acids
X
X
Phenols
X
X
X
X
X
X
Phenols,
dinitrophenols
X
X
X
X
Polymers,
polycationic
X
X
X
Surfactants,
anionic
X
X
X
X
X
X
Surfactants,
cationic,
quaternary
ammonium,
monoalkyl
X
X
X
Surfactants,
cationic,
quaternary
ammonium,
dialkyl
X
X
X
X
X
X
Surfactants,
ethomeen
X
X
X
Surfactants,
nonionic
X
X
Thiazolinones,
iso
X
X
X
X
Thiols
(mercaptans)
X
X
Triazines,
substituted
X
X
Ureas,
substituted
X
for
neutral
organic
compounds
in
saturated
solutions
even
with
long­
term
exposures.
Other
chemical
classes
have
other
upper
limits
for
Kow.
For
examples,
the
maximum
log
Kow
for
aldehydes
is
6.0
and
7.0
for
phenols.

Using
SARs
All
SARs
contain
an
equation
that
predicts
the
aquatic
toxicity
of
a
chemical.
Most
of
the
SARs
require
the
user
to
know
the
predicted
log
of
the
octanol
water
partition
coefficient
(Kow).
When
this
number
is
entered
into
the
equation,
a
toxicity
values
in
millimoles/
L
(mM/
L)
is
derived.
The
molecular
weight
of
the
subject
compound
is
required
to
convert
the
SAR
estimates
from
millimoles/
L
to
mg/
L.
The
ECOSAR
program
does
this
automatically,
however,
manual
estimates
require
that
conversions
be
made.
For
example,
the
equation
for
predicting
the
fish
96­
hour
LC50
values
for
neutral
organics
is:

Using
1,1'­
biphenyl
(CASRN
[92­
52­
4]
as
a
representative
chemical,
the
estimated
log
Kow
for
this
compound
is
4.0,
to
give
a
log
LC50
of
­2.01.
Taking
the
antilog
of
­2.01,
gives
an
LC50
value
of
0.009
mM/
L.
However,
to
express
the
toxicity
of
the
1,1'­
biphenyl
as
mg/
L,
the
toxicity
must
be
multiplied
by
the
molecular
weight
of
the
compound
which
is
154.20,
to
give
a
final
toxicity
value
of
1.5
mg/
L.
Conversions
from
mM/
L
to
mg/
L
are
not
necessary
for
compounds
and
equations
(e.
g.,
surfactants,
polymers)
that
do
not
use
Kow
as
the
input
parameter
for
toxicity.

Molecular
weight
is
also
used
to
determine
the
absorption
cutoff
limit
for
aquatic
organisms.
As
the
molecular
weight
of
a
chemical
increases
above
600,
passive
absorption
through
respiratory
membranes
decreases
significantly.
Therefore,
for
chemicals
with
molecular
weights
above
1000,
it
has
been
assumed
that
such
absorption
is
negligible.
For
surface
active
chemicals
such
as
cationic
polymers,
molecular
weight
6
is
not
limiting
because
the
toxic
effect
is
not
due
to
absorption,
for
example,
some
polycationic
polymers
with
molecular
weights
in
excess
of
1,000,000
are
highly
toxic
to
aquatic
organisms.

An
important
aspect
of
determining
the
toxicity
of
a
compound
is
knowing
the
water
solubility.
The
water
solubility
of
a
compound
can
be
compared
with
the
SAR
toxicity
value
derived
for
that
compound.
If
the
toxicity
value
is
significantly
greater
than
the
measured
or
predicted
maximum
water
solubility,
then
an
effect
is
not
expected
to
occur
in
a
saturated
solution.
In
addition,
a
determination
of
the
physical
state
(liquid,
solid,
or
gas)
of
the
compound
is
helpful
in
selecting
an
SAR.
SARs
currently
used
by
EEB
were
developed
using
toxicity
data
on
chemicals
that
are
liquids
at
room
temperature
(25
EC).
If
an
organic
chemical
is
a
solid
at
room
temperature,
then
the
melting
point
should
be
known
because
of
the
effect
it
has
on
water
solubility,
i.
e.,
assuming
Kow
is
constant,
the
higher
the
melting
point
of
a
neutral
organic
chemical,
the
lower
its
water
solubility.
For
other
chemicals
such
as
surfactants,
water
dispersibility
is
used;
however,
for
practical
purposes,
water
solubility
and
dispersibility
are
considered
to
be
synonymous.

To
determine
the
toxicity
of
a
surfactant,
it
is
necessary
to
know
the
number
of
carbon
atoms
in
the
alkyl
chain
for
anionic
surfactants
or
the
number
of
ethoxylate
units
in
the
compound
if
it
is
an
cationic
(ethomeen)
or
nonionic
surfactant.
For
cationic
quaternary
ammonium
surfactants,
the
toxicity
is
based
on
the
average
length
of
a
linear
carbon
chain,
if
the
chain
length
is
between
10
and
24
carbons
long.
The
surfactant
SARs
developed
by
EEB
are
based
on
surfactants
where
the
hydrophobic
component
is
composed
of
a
single
linear
chain
of
carbons
and/
or
chains
of
ethoxylate
units.
Surfactants
that
have
complex
hydrophobic
components
are
assessed
by
calculating
the
Kow
of
the
complex
hydrophobic
component
alone
and
determining
which
aliphatic
alkyl
(carbon)
chain
has
an
equivalent
Kow
.
Toxicity
predictions
are
based
on
this
equivalent
chemical
structure.
See
the
SAR
for
cationic
dialkyl
quaternary
ammonium
surfactants
for
more
details
on
these
calculations.

For
polycationic
polymers,
it
is
necessary
to
calculate
the
percent
amine
nitrogen
and/
or
number
of
cationic
charges
per
1000
molecular
weight.

For
inorganic
and
organometallic
compounds,
only
the
molecular
weight
of
the
compound
is
used
for
calculating
the
toxicity
value.
Acute
and/
or
chronic
toxicity
values
will
be
expressed
in
mg/
L,
and
further
conversions
and/
or
calculations
are
not
necessary.

Reliability
of
SARs
As
may
be
seen
by
reviewing
the
chemicals
used
to
derive
the
individual
SARs
in
this
manual,
some
chemical
classes
have
a
greater
number
of
chemicals
with
accompanying
toxicity
values
than
do
others.
For
example,
the
neutral
organic
96­
hour
fish
LC50
SAR
was
based
on
toxicity
values
for
over
60
chemicals,
whereas,
the
fish
96­
hour
LC50
SAR
for
propargyl
alcohols
was
based
on
only
one
toxicity
value.
In
the
cases
where
there
is
only
one
toxicity
value
for
a
chemical
class,
the
SAR
is
based
on
the
line
drawn
between
the
one
toxicity
value
and
the
maximum
toxicity
value
of
a
neutral
organic
compound.
Obviously
SARs
developed
using
only
one
or
two
toxicity
values
taken
from
the
literature
or
premanufacture
notices
may
not
have
the
same
reliability
as
an
SAR
developed
from
a
larger
toxicity
database;
however,
on
a
regulatory
basis
this
is
the
best
estimate
that
can
be
scientifically
achieved.

To
determine
how
reliable
the
SARs
in
this
manual
are,
Nabholz
et
al.
(1993)
conducted
a
validation
study
which
compared
the
predicated
toxicity
values
of
chemicals
with
their
measured
toxicity
values.
Several
chemical
classes
were
included
in
the
study:
neutral
organics,
organic
chemicals
which
show
excess
toxicity
compared
with
neutral
organics
of
a
similar
structure,
anionic
surfactants,
cationic
surfactants,
polycationic
polymers,
cationic
dyes,
acid
dyes,
polyanionic
monomers
which
are
strong
chelators
of
nutrient
elements,
and
compounds
which
undergo
hydrolysis
(e.
g.,
acid
chlorides
and
alkyloxysilanes).
In
all,
test
data
from
462
chemicals
were
used
in
the
validation
study.
SARs
for
acute
and
chronic
toxicity
for
fish,
daphnids,
and
green
algae
were
reviewed.
Validation
was
expressed
as
a
ratio,
i.
e.,
predicted
toxicity:
measured
toxicity.
A
ratio
of
1.0
would
indicate
that
the
predictions
were
perfectly
accurate,
a
ratio
7
of
less
than
1.0
would
indicate
an
over­
prediction
of
toxicity,
and
a
ratio
of
more
than
1.0
would
indicate
that
SARs
were
under
predicting
the
toxicity
of
the
chemicals.
The
results
of
the
study
indicated
that
the
algal
chronic
effect
was
most
accurately
predicted
(ratio
1.07)
while
the
fish
chronic
value
was
the
least
reliable
(ration
0.24).
The
fish
96­
hour
LC50
ratio
was
0.64,
the
daphnid
48­
hour
LC50
was
0.79,
and
the
algae
96­
hour
EC50
was
0.81.
Work
on
validating
the
SARs
is
continuously
ongoing
in
EEB.

FURTHER
DISCUSSION
NEEDED
FOR
USE
OF
NEAREST
ANALOG;
WHY
GASES
DON'T
HAVE
SAR;
AND
RADIONUCLIDES
Sources
for
ECOSAR
ECOSAR:
Computer
Program
and
User's
Guide
for
Estimating
the
Ecotoxicity
of
Industrial
Chemicals
Based
on
Structure
Activity
Relationships
(Publication
Number
EPA­
748­
R­
93­
002)
is
available
from
the
following
sources:

!
National
Center
for
Environmental
Publications
and
Information
U.
S.
Environmental
Protection
Agency
26
West
Martin
Luther
King
Drive
Cincinnati,
OH
45268
(513)
569­
7562
!
National
Technical
Information
Service
U.
S.
Department
of
Commerce
5285
Port
Royal
Road
Springfield,
VA
22161
(703)
487­
4650
References
Clements,
RG,
Nabholz,
JV,
Johnson,
DW,
Zeeman,
M.
1993.
The
Use
and
Application
of
QSARs
in
the
Office
of
Toxic
Substances
for
Ecological
Hazard
Assessment
of
New
Chemicals.
In:
Landis,
WG,
Hughes,
JS,
and
Lewis,
MA,
eds.
Environmental
Toxicology
and
Risk
Assessment,
ASTM
STP
1179.
Philadelphia,
PA:
American
Society
for
Testing
and
Materials.
pp.
56­
64.

Nabholz,
JV,
Clements,
RG,
Zeeman,
MG,
Osborn,
KC,
Wedge,
R.
1993.
Validation
of
Structure
Activity
Relationships
Used
by
the
USEPA's
Office
of
Pollution
Prevention
and
Toxics
for
the
Environmental
Hazard
Assessment
of
Industrial
Chemicals.
In:
Gorsuch,
JW,
Dwyer,
FJ,
Ingersoll,
CG,
and
LaPoint,
TW,
eds.
Environmental
Toxicology
and
Risk
Assessment:
2nd
Vol.
ASTM
STP
1216.
Philadelphia,
PA:
American
Society
for
Testing
and
Materials.
pp.
571­
590.

Nabholz,
JV,
Miller,
P,
Zeeman,
M.
1993.
Environmental
Risk
Assessment
of
New
Chemicals
Under
the
Toxic
Substances
Control
Act
(TSCA)
Section
Five.
In:
Landis,
WG,
Hughes,
JS,
and
Lewis,
MA,
eds.
Environmental
Toxicology
and
Risk
Assessment,
ASTM
STP
1179.
Philadelphia,
PA:
American
Society
for
Testing
and
Materials.
pp.
40­
55.
8
9
CHEMICAL
CLASSES
AND
APPLICABLE
SARs
Chemical
Class
SAR
to
Use
ACETATES
Use
SAR
for
ESTERS
ACETYLENIC
CARBAMATES
No
SAR
available,
excess
toxicity
ACID
CHLORIDES
Use
SAR
for
ACID
CHLORIDES
ACID
DYES
with
ONE
ACID
Some
are
moderately
toxic
to
fish
and
daphnids,
others
are
not;
No
SAR
available,
Use
nearest
analog
ACID
DYES
with
TWO
ACIDS
Some
are
moderately
toxic
to
fish
and
daphnids,
others
are
not;
No
SAR
available,
Use
nearest
analog
ACID
DYES
with
THREE
ACIDS
Only
moderately
toxic
to
green
algae
due
to
the
indirect
effect
of
shading;
shading
inhibits
growth
due
to
the
colored
water;
Use
nearest
analog
based
on
chemical
structure,
color,
and
intensity
of
color.

ACRYLAMIDES
and
SUBSTITUTED
ACRYLAMIDES
Excess
toxicity,
Use
toxicity
data
for
acrylamides
with
MW
adjustment
ACRYLATES
(log
Kow
<5.0)
Use
SAR
for
ACRYLATES
ACRYLATES
(log
Kow
>5.0)
Use
SAR
for
NEUTRAL
ORGANICS
ACRYLATES,
METHACRYLATES
Use
SAR
for
ACRYLATES,
METHACRYLATES
ACTINIUM
No
SAR
available
ALCOHOLS
Use
SAR
for
NEUTRAL
ORGANICS
ALCOHOLS,
PROPARGYL
Use
SAR
for
ALCOHOLS
PROPARGYL
ALDEHYDES
Use
SAR
for
ALDEHYDES,
R­
C(=
O)­
H,
ALDEHYDES,
VINYL
No
SAR
available;
some
exhibit
excess
toxicity,
e.
g.,
acrolein,
ALIPHATIC
AMINES
Use
SAR
for
AMINES,
ALIPHATIC
ALIPHATIC
DIESTERS
Use
SAR
for
ESTERS,
DI,
ALIPHATIC
ALIPHATIC
DIKETONES,
LINEAR
Use
SAR
for
KETONES,
DI,
ALIPHATIC
ALIPHATIC
HYDROCARBON,
á­
HYDROXY­
ß­
NITRO
SUBSTITUTED
or
ALIPHATIC
HYDROCARBON,
1­
HYDROXY­
2­
NITRO
SUBSTITUTED
Excess
toxicity
towards
algae,
e.
g.,
tris(
hydroxymethyl)
nitromethane
ALIPHATIC
MONOESTERS
Use
SAR
for
ESTERS
ALIPHATIC
HYDROCARBONS
Use
SAR
for
NEUTRAL
ORGANICS
Straight
chain
or
cycloalkane,
ALKANES,
CYCLO
Use
SAR
for
NEUTRAL
ORGANICS
ALKANES,
STRAIGHT
&
BRANCHED
Use
SAR
for
NEUTRAL
ORGANICS
ALKENES
Use
SAR
for
NEUTRAL
ORGANICS
ALKYLANILINES
Use
SAR
for
ANILINES
ALKYL
BENZENE
SULFONATES
Use
SAR
for
SURFACTANTS,
ANIONIC
ALKYL
ESTERS
OF
CARBAMIC
ACID
No
SAR
available
ALKYL
HALIDES
Use
SAR
for
NEUTRAL
ORGANICS
ALKYL­
NITROGEN­
ETHOXYLATES
Use
SAR
for
SURFACTANTS,
ETHOMEEN
ALKYL
SULFONATES
Use
SAR
for
SURFACTANTS,
ANIONIC
ALKYL
SULFONATES
AND
CARBOXYLIC
ACID
ALLYL
CYANIDES
Use
SAR
for
MALONONITRILES
ALLYL
DIESTERS
Use
SAR
for
ESTERS
,
DI,
ALIPHATIC
10
ALLYL
ESTER
Use
SAR
for
ESTERS
ALLYL
HALOGENS
No
SAR
available
ALLYL
CHLORIDES
show
excess
toxicity,
ALLYL
BROMIDES
are
even
more
toxic
ALKYNES
Use
SAR
for
NEUTRAL
ORGANICS
ALLYL,
NITRILES
ALUMINUM
Use
SAR
for
ALUMINUM
AMERICIUM
No
SAR
available
AMIDES,
VINYL
No
SAR
available.
Excess
toxicity,
Use
toxicity
data
for
arcylamides
with
MW
adjustment
AMINES,
ALIPHATIC,
PRIMARY
Use
SAR
for
AMINES,
ALIPHATIC
when
log
Kow
<
7.0,
Use
nearest
analog
when
log
Kow
>
7.0
AMINES,
ALIPHATIC,
SECONDARY
Use
SAR
for
AMINES,
ALIPHATIC
when
log
Kow
<
7.0,
Use
nearest
analog
when
log
Kow
>
7.0
AMINES,
ALIPHATIC,
TERTIARY
Use
SAR
for
AMINES,
ALIPHATIC
when
log
Kow
<
7.0,
Use
nearest
analog
when
log
Kow
>
7.0
AMINES,
ALIPHATIC,
QUATERNARY,
SURFACTANT
Use
SAR
for
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL
AMINES,
ALIPHATIC,
QUATERNARY,
NOT
A
SURFACTANT
Calculate
Kow
for
the
tertiary
amine
and
Use
SAR
for
AMINES,
ALIPHATIC
when
log
Kow
<
7.0,
nearest
analog
when
log
Kow
>
7.0;
or
Use
nearest
analog
method.
AMINES,
SCHIFF
BASES
No
SAR
available
AMINES,
AROMATIC
Use
SAR
for
ANILINES
AMINO­
PHENOLS
Use
SAR
for
ANILINES
AMINOTRIAZOLES
AMPHOTERIC
DYES
If
charges
are
balanced,
low
toxicity
towards
fish
and
daphnids,
and
shading
only
towards
algae;
if
more
cationic
than
anionic,
see
CATIONIC
DYES;
and
if
more
anionic
than
cationic,
see
ACID
DYES
ANILINES
Use
SAR
for
ANILINES
ANILINES,
ALKYL
Use
SAR
for
ANILINES
ANILINES
AR­
NH2
with
N­
substitutions
Use
SAR
for
NEUTRAL
ORGANICS
ANILINES,
AMINO,
META,
OR
1,3­
SUBSTITUTED
Use
SAR
for
ANILINES,
AMINO,
META,
OR
1,3­
SUBSTITUTED
ANILINES,
AMINO,
ORTHO,
OR
1,2­
SUBSTITUTED
Use
SAR
for
ANILINES,
AMINO,
ORTHO,
OR
1,2­
SUBSTITUTED
ANILINES,
AMINO,
PARA,
OR
1,4­
SUBSTITUTED
Use
SAR
for
ANILINES,
AMINO,
PARA
OR
1,4­
SUBSTITUTED
ANILINES,
DINITRO
Use
SAR
for
ANILINES,
DINITRO
ANILINES,
MONOHYDROXY
Use
SAR
for
ANILINES
ANILINES,
POLYNITRO
Use
SAR
for
ANILINES,
DINITRO
ANTIMONY
No
SAR
available;
however
water
quality
criteria
may
be
used
ARGON
Gas;
No
SAR
available
AROMATIC
DIAZONIUMS
Use
SAR
for
DIAZONIUMS,
AROMATIC
ARSENIC(
III)
Use
SAR
for
ARSENIC
11
ARYL
HALIDES
Use
SAR
for
NEUTRAL
ORGANICS
ASTATINE
No
SAR
available
AZIRIDINES
Use
SAR
for
AZIRIDINES,
AZO
DYES
No
SAR
available;
see
DYES
BARIUM
No
SAR
available
BENZENE,
DINITRO
Use
SAR
for
BENZENES,
DINITRO
BENZENEAMINES
Use
SAR
for
ANILINES
BENZOATES
Use
SAR
for
ESTERS
BENZOTRIAZOLES
Use
SAR
for
BENZOTRIAZOLES
BENZOTRIAZOLES
with
free
­NH
Use
SAR
for
BENZOTRIAZOLES,
has
excess
toxicity,
BENZOTRIAZOLES
with
N­
alkyl
substitution
Use
SAR
for
NEUTRAL
ORGANICS
BENZOTRIAZOLES
with
N­
thiol
substitution
No
SAR
available
BENZOYL
PEROXIDES
Use
SAR
for
PEROXY
ACIDS,
RC(=
O)
OOC(=
O)
R,
excess
toxicity,
BERKELIUM
No
SAR
available
BERYLLIUM
Use
SAR
for
BERYLLIUM
BIPHENYLS,
POLYBROMINATED
Use
SAR
for
NEUTRAL
ORGANICS
BISMUTH
No
SAR
available
BORON
Use
SAR
for
BORON
BROMINE
No
SAR
available
CADMIUM
Use
SAR
for
CADMIUM
CALCIUM
No
SAR
available
CALIFORNIUM
No
SAR
available
CAPROLACTAMS
Use
SAR
for
NEUTRAL
ORGANICS
CARBAMATES
No
SAR
available
CARBAMATES,
BIS(
ETHYL)

JOINED
AT
­NRN­
BY
ALKYL
OR
ARYL
GROUPS
No
SAR
available
CARBAMATES,
ETHYL,
N­
ALKYL
OR
ARYL
SUBSTITUTED
No
SAR
available
CARBAMATES,
BIS
OR
TRIS,
ESTERIFIED
ON
A
SINGLE
PHENYL
RING
No
SAR
available
CARBAMATES,
THIO
No
SAR
available
CARBON
No
SAR
available
CARBOXYLIC
ACIDS
CATIONIC
DYES
No
SAR
available,
Use
nearest
analog,
MWs
can
be
over
1000
CERIUM
No
SAR
available
CESIUM
Use
SAR
for
CESIUM
CHLORINATED
HYDROCARBONS
Use
SAR
for
NEUTRAL
ORGANICS
CHLORINE
Use
SAR
for
CHLORINE
CHLOROANILINES
Use
SAR
for
ANILINES
CHLOROFLUOROCARBONS
(CFCs)
Use
SAR
for
NEUTRAL
ORGANICS
CHROMIUM
Use
SAR
for
CHROMIUM
CHROMIUM(
III)
Use
SAR
for
CHROMIUM
CHROMIUM(
VI)
Use
SAR
for
CHROMIUM
COBALT
Use
SAR
for
COBALT
COPPER
Use
SAR
for
COPPER
CROWN
ETHERS
See
SAR
for
CROWN
ETHERS
12
CURIUM
No
SAR
available
CYANIDE,
VINYL
No
SAR
available,
R­
C=
C­
C/N,
e.
g.,
acrylonitrile,
fumaronitrile,
have
excess
toxicity,
CYANATES
No
SAR
available,
(NCO­
R)
or
(R­
OCN),
excess
toxicity,
Use
nearest
analog
CYCLIC
DIKETONES
Use
SAR
for
NEUTRAL
ORGANICS
CYCLOALKANES
Use
SAR
for
NEUTRAL
ORGANICS
CYCLODIENE
Use
SAR
for
NEUTRAL
ORGANICS
DIAMINES,
PHENYLENE
(META
OR
1,3
SUBSTITUTED)
Use
SAR
for
ANILINES,
AMINO,
META,
OR
1,3­
SUBSTITUTED
DIAMINES,
PHENYLENE
(ORTHO
OR
1,2­
SUBSTITUTED)
Use
SAR
for
ANILINES,
AMINO,
ORTHO
OR
1,2­
SUBSTITUTED
DIAMINES,
PHENYLENE
(PARA
OR
1,4­
SUBSTITUTED)
Use
SAR
for
ANILINES,
AMINO,
PARA
OR
1,4­
SUBSTITUTED
DIAZONIUMS,
ALIPHATIC
No
SAR
available
(R­
N/N­
A),
(very
explosive
and
are
used
as
synthesizing
agents)
DIAZONIUMS,
AROMATIC
Use
SAR
for
DIAZONIUM,
AROMATIC(
AR­
N/N­
AR),
DICARBOXYLIC
ALIPHATIC
ESTERS
Use
SAR
for
ESTERS
DIEPOXIDES
Use
SAR
for
EPOXIDES,
DI
DIESTER,
ALLYL
No
SAR
available
R­
C­
C=
C­
C­(
O­
C(=
O)­
C­
R)­
O­
C(=
O)
C
R)
excess
toxicity
e,
g.,
2­
propene­
1,1­
diol,
diacetate,
1000X
more
toxic
than
an
equivalent
NEUTRAL
ORGANIC,
DIESTERS,
AROMATIC
OR
ALIPHATIC/
AROMATIC
Use
SAR
for
ESTERS,
PHTHALATE
DIKETONES,
á,
Ã­
diketone
or
1,3­
diketones,
linear
Use
SAR
for
KETONES,
DI,
ALIPHATIC;
e.
g.,
2,4­
pentanediols,
excess
toxicity
DIKETONES,
1,3­
diketones,
cyclic
Use
SAR
for
NEUTRAL
ORGANICS
DINITROANILINES
Use
SAR
for
ANILINES,
DINITRO
DINITROBENZENES
Use
SAR
for
BENZENES,
DINITRO
DINITROPHENOLS
Use
SAR
for
PHENOLS,
DINITRO
DIPHENOLS
Use
SAR
for
PHENOLS
DISPERSE
DYES
Use
SAR
for
NEUTRAL
ORGANICS
DISULFIDES
Use
SAR
for
NEUTRAL
ORGANICS
DISULFIDE,
PHENYL
No
SAR
available,
excess
toxicity,
DITHIOCARBAMATES
See
SAR
for
CARBAMATES,
DITHIO
DITHIOCARBAMATES,
POLY
No
SAR
available,
excess
toxicity,
DYES
see
ACID
DYES
if
ANIONIC
DYES;
see
CATIONIC
DYES
if
cationic;
see
NEUTRAL
DYES
if
neutral;
and
see
AMPHOTERIC
DYES
if
both
cationic
and
anionic;
MWs
can
be
over
1000
for
CATIONIC
DYES,
AMPHOTERIC
DYES,
and
ACID
DYES;
MWs
of
NEUTRAL
DYES
have
to
be
less
than
1000
for
toxicity
towards
fish
and
daphnids;
toxicity
to
green
algae
is
based
on
color
and
intensity
of
color,
and
is
an
indirect
effect
DYSPROSIUM
No
SAR
available
ERBIUM
No
SAR
available
EPOXIDES,
AZIRIDINES
Use
SAR
for
AZIRIDINES
13
EPOXIDES,
DIEPOXIDES
Use
SAR
for
EPOXIDES
,
DI
EPOXIDES,
MONOEPOXIDES
Use
SAR
for
EPOXIDES
,
MONO
EPOXIDES,
POLYEPOXIDES
Use
SAR
for
EPOXIDES,
DI
ESTERS
(log
Kow
<5.0)
Use
SAR
for
ESTERS
ESTERS
(log
Kow
>5.0)
Use
SAR
for
NEUTRAL
ORGANICS
ESTERS
Use
SAR
for
ESTERS,
RC(=
O)
OR,
ESTER,
ALLYL
Use
SAR
for
ESTERS,
R­
C=
C­
C­
O­
C(=
O)­
C­
R,
excess
toxicity,
ESTERS,
á­
HALO­
No
SAR
available,
C­
O­
C(=
O)­
C­
X,
excess
toxicity,
BROMIDES
are
more
toxic
than
CHLORIDES
ESTERS,
DICARBOXYLIC,
ALIPHATIC
Use
SAR
for
ESTERS
ESTERS,
DIESTERS,
ALIPHATIC
Use
SAR
for
ESTERS
,
DI,
ALIPHATIC
ESTERS,
METHANESULFONATES
Use
SAR
for
ESTERS
ESTERS,
PHOSPHATE
Use
SAR
for
ESTERS,
PHOSPHATE
ESTERS,
PHOSPHINOTHIOIC
ACID,
TRISUBSTITUTED
No
SAR
Available,
R­
O­
P(=
S)(
O­
R)
R,
pesticide,
Use
nearest
analog
ESTERS,
PHOSPHINOTHIOIC
ACID,
DISUBSTITUTED­
FREE
ACID
Use
SAR
for
SURFACTANTS,
ANIONIC
if
alkyl
chains
are
long;
if
alkyl
chains
are
short,
use
nearest
analog
(R­
O­
P(=
S)(
OH)
R)
ESTERS,
PHOSPHINOTHIOIC
ACID,
MONOSUBSTITUTED­
FREE
DIACID
Use
SAR
for
SURFACTANTS,
ANIONIC
if
alkyl
chains
are
long;
if
alkyl
chains
are
short,
Use
nearest
analog
(HO­
P(=
S)(
OH)
R)
ESTERS,
PHOSPHOROTHIOIC,
MONOESTER
WE
NEED
A
DESCRIPTION
FOR
THIS;
USES
BOTH
ANIONIC
SURFACTANT
AND
DIESTER
SARS
ESTERS,
PHOSPHOROTHIOIC,
MONOSUBSTITUTED
ESTER
Use
SAR
for
SURFACTANTS,
ANIONIC
if
alkyl
chain
is
long;
if
alkyl
chain
is
short,
Use
nearest
analog
(R­
OP
S)(
OH)
OH)
ESTERS,
PHOSPHOROTHIOIC,
DISUBSTITUTED
ESTER
Use
SAR
for
SURFACTANTS,
ANIONIC,
if
alkyl
chain
is
long,
if
alkyl
chain
is
short,
Use
nearest
analog
ESTERS,
PHOSPHOROTHIOIC,
TRIESTER
Use
SAR
for
ESTERS,
PHOSPHATE
ESTERS,
PHOSPHOROTHIOIC,
TRISUBSTITUTED
Use
SAR
for
ESTERS,
PHOSPHATE
ESTERS,
PHTHALATE
Use
SAR
for
ESTERS,
PHTHALATE
ESTERS,
POLY
Use
SAR
for
ESTERS
ESTERS,
PROPARGYLIC
No
SAR
available,
have
excess
toxicity
ESTERS,
SULFONATE
Use
SAR
for
ESTERS
ESTERS,
TRIALKYL
PHOSPHATE
Use
SAR
for
ESTERS,
PHOSPHATE
ESTERS,
VINYL
No
SAR
available,
excess
toxicity
EINSTEINIUM
No
SAR
available
ETHERS
Use
SAR
for
NEUTRAL
ORGANICS
ETHOXYLATES,
ALKYL
Use
SAR
for
SURFACTANTS,
NONIONIC
EUROPIUM
No
SAR
available
FATTY
ACIDS
Use
SAR
for
SURFACTANTS,
ANIONIC
FERMIUM
No
SAR
available
FLUORINE
No
SAR
available
FRANCIUM
No
SAR
available
14
GADOLINIUM
No
SAR
available
GALLIUM
No
SAR
available
GERMANIUM
Use
SAR
for
GERMANIUM
GOLD
Use
SAR
for
GOLD
GUANIDINE
Use
SAR
for
AMINES,
ALIPHATIC
HAFNIUM
No
SAR
available
HALIDES,
ALKYL
Use
SAR
for
NEUTRAL
ORGANICS
HALIDES,
ARYL
Use
SAR
for
NEUTRAL
ORGANICS
HALOGENATED
FLUOROCARBONS
Use
SAR
for
NEUTRAL
ORGANICS
HELIUM
No
SAR
available
HFCs
Use
SAR
for
NEUTRAL
ORGANICS
HOLMIUM
No
SAR
available
HYDRAZIDES
Use
SAR
for
HYDRAZINES
HYDRAZINES
Use
SAR
for
HYDRAZINES
HYDRAZINES,
CARBOXYLIC
(FREE)
ACID
SUBSTITUTION
No
SAR
available,
about
10
times
less
toxic
than
HYDRAZINES
HYDRAZINES,
SEMICARBAZIDES,
ARYL,
META/
PARA
SUBSTITUTED
Use
SAR
for
SEMICARBAZIDES,
ARYL,
META/
PARA
SUBSTITUTED
HYDRAZINES,
SEMICARBAZIDES,
ARYL,
ORTHO
SUBSTITUTED
Use
SAR
for
SEMICARBAZIDES,
ARYL,
ORTHO
SUBSTITUTED
HYDRAZONES
Use
SAR
for
HYDRAZINES
HYDROCARBONS,
AROMATIC
Use
SAR
for
NEUTRAL
ORGANICS
HYDROCARBONS,
AROMATIC,
HALOGENATED
Use
SAR
for
NEUTRAL
ORGANICS
HYDROCARBONS,
ALIPHATIC,
HALOGENATED
Use
SAR
for
NEUTRAL
ORGANICS
HYDROGEN
No
SAR
available;
toxicity
is
based
on
pH
*********
HYDROQUINONES
or
PARA­
HYDROXY
PHENOL
No
SAR
available,
excess
toxicity
IMIDES
Use
SAR
for
IMIDES
INDIUM
No
SAR
available
INDOLES,
HALOGENATED
Use
SAR
for
NEUTRAL
ORGANICS
IODINE
No
SAR
available
IRIDIUM
No
SAR
available
IRON
Use
SAR
for
IRON
ISOCYANATES,
MONO­
AND
DI
ISOCYANATES
(R­
NCO)
and
ISOTHIOCYANATES
No
SAR
available,
excess
toxicity
if
very
water
soluble.
Use
nearest
analog
ISOTHIAZOLINONES
Use
SAR
for
THIAZOLINOES,
ISO
KETONES,
á­
HALO­
No
SAR
available,
excess
toxicity
KETONES,
MONO
Use
SAR
for
NEUTRAL
ORGANICS
KETONES,
DIKETONES,
ALIPHATIC
Use
SAR
for
KETONES,
DI
Aliphatic
KRYPTON
No
SAR
available
LANTHANUM
Use
SAR
for
LANTHANUM
LAWRENCIUM
No
SAR
available
LEAD
Use
SAR
for
LEAD
LINALOOLS
Use
SAR
for
NEUTRAL
ORGANICS
LINEAR
ALKYL
BENZENES
Use
SAR
for
SURFACTANTS,
ANIONIC
LINEAR
ALKYL
BENZENE
15
SULFONATES
Use
SAR
for
SURFACTANTS,
ANIONIC
LINEAR
ALKYL
SULFONATES
Use
SAR
for
SURFACTANTS,
ANIONIC
LITHIUM
No
SAR
available
LUTETIUM
No
SAR
available
MAGNESIUM
No
SAR
available
MALEIMIDES
Use
SAR
for
IMIDES
MALONONITRILES
Use
SAR
for
MALONONITRILES
MANGANESE
No
SAR
available
MENDELEVIUM
No
SAR
available
MERCAPTANS/
THIOLS
Use
SAR
for
THIOLS;
(R­
SH)
MERCAPTOBENZOTRIAZOLES:
No
SAR
available
,
excess
toxicity
MERCURY
Use
SAR
for
MERCURY
METHACRYLAMIDES
No
SAR
available,
less
toxic
than
ACRYLAMIDES
and
SUBSTITUTED
ACRYLAMIDES
METHACRYLATES
(log
Kow
<5.0)
Use
SAR
for
METHACRYLATES
METHACRYLATES
(log
Kow
>5.0)
Use
SAR
for
NEUTRAL
ORGANICS
METHANESULFONATES
Use
SAR
for
ESTERS
MOLYBDENUM
Use
SAR
for
MOLYBDENUM
MONOEPOXIDES
Use
SAR
for
EPOXIDES,
MONO
NEON
No
SAR
available
NEUTRAL
DYES
Use
SAR
for
NEUTRAL
ORGANICS
NEUTRAL
ORGANICS
Use
SAR
for
NEUTRAL
ORGANICS
NEODYMIUM
No
SAR
available
NEPTUNIUM
No
SAR
available
NICKEL
Use
SAR
for
NICKEL
NIOBIUM
No
SAR
available
NITRILES
Use
SAR
for
NEUTRAL
ORGANICS
NITRILES,
ALLYL
Use
SAR
for
MALONONITRILES
NITRILES,
VINYL
Use
SAR
for
MALONONITRILES
NITROBENZENES,
DINITROBENZENES
Use
SAR
for
BENZENES,
DINITRO
NITROGEN
No
SAR
available
NITROSO
COMPOUNDS
No
SAR
available,
excess
toxicity
NOBELIUM
No
SAR
available
OSMIUM
No
SAR
available
OXYGEN
No
SAR
available
PALLADIUM
No
SAR
available
PEROXY
ACIDS
Use
SAR
for
PEROXY
ACIDS
PHENOLS
Use
SAR
for
PHENOLS
PHENOLS,
AMINO
Use
SAR
for
ANILINES
PHENOLS,
DI
Use
SAR
for
PHENOLS
PHENOLS,
DINITRO
Use
SAR
for
PHENOLS,
DINITRO
PHENOLS,
HALOGENATED
Use
SAR
for
PHENOLS
PHENOL,
META­
HYDROXY
Use
SAR
for
PHENOLS
PHENOL,
ORTHO­
HYDROXY
No
SAR
available,
CATECHOL,
16
times
excess
fish
acute
toxicity
PHENOL,
PARA­
HYDROXY
or
HYDROQUINONE
No
SAR
available,
1400
times
excess
fish
acute
toxicity
PHENOLS,
POLY
Use
SAR
for
PHENOLS
PHENOLS,
SUBSTITUTED
Use
SAR
for
PHENOLS
PHENYLENEDIAMINES
Use
SAR
for
ANILINES,
AMINO
********
PHOSPHINOTHIOIC
ACID
ESTERS,
DISUBSTITUTED
FREE
ACID
Use
SAR
for
SURFACTANTS,
ANIONIC
16
PHOSPHINOTHIOIC
ACID
ESTERS,
MONOSUBSTITUTED
FREE
ACID
Use
SAR
for
SURFACTANTS,
ANIONIC
PHOSPHITES
No
SAR
available,
excess
toxicity
PHOSPHONIUM
Use
SAR
for
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM
if
a
surfactant;
if
not
a
surfactant
use
nearest
analog:
SULFONIUM
or
QUATERNARY
AMMONIUM
analogs
are
acceptable
PHOSPHOROTHIOIC
ESTERS,
DIESTER
Use
SAR
for
SURFACTANTS,
ANIONIC
PHOSPHOROTHIOIC
ESTERS,
MONOESTER
Use
SAR
for
SURFACTANTS,
ANIONIC
PHOSPHORUS
Use
SAR
for
PHOSPHORUS
PLATINUM
Use
SAR
for
PLATINUM
PLUTONIUM
No
SAR
available
POLONIUM
No
SAR
available
POLYANIONIC
MONOMERS
No
SAR
available,
monomers
with
two
or
more
acid
groups
and
which
act
like
organic
acid
chelators,
Use
nearest
analog
POLYAROMATIC
HYDROCARBONS
Use
SAR
for
NEUTRAL
ORGANICS
POLYBROMINATED
BIPHENYLS
Use
SAR
for
NEUTRAL
ORGANICS
POLYCATIONIC
POLYMERS
Use
SAR
for
POLYMERS,
POLYCATIONIC
POLYEPOXIDES
Use
SAR
for
EPOXIDES,
DI,

POLYISOCYANATES
No
SAR
available,
if
water
solubility
is
13
mg/
L
or
less,
then
no
effects
at
saturation;
these
chemicals
will
polymerize:
one
NCO
will
hydrolyze
to
the
amine
and
the
amine
will
react
with
another
NCO
to
form
a
urethane;
a
crosslinked
polymer
will
be
formed
POLYMERS,
POLYNONIONIC
No
SAR
available,
low
environmental
hazard.
POLYMERS,
POLYANIONIC,
POLY(
CARBOXYLIC
ACID)
No
SAR
available,
Use
nearest
analog
POLYMERS,
POLYANIONIC,
No
SAR
available,
Use
nearest
analog
POLY(
ACRYLIC
ACID)
POLYMERS,
POLYANIONIC,
No
SAR
available,
Use
nearest
analog
POLY(
METHACRYLIC
ACID)
POLYMERS,
POLYANIONIC,
POLY(
AROMATIC
SULFONIC
ACID)
No
SAR
available,
Use
nearest
analog
POLYMERS,
POLYANIONIC,
POLY(
ALIPHATIC
SULFONIC
ACID)
No
SAR
available,
Use
nearest
analog
POLYMERS,
POLYCATIONIC
Use
SAR
for
POLYMERS,
POLYCATIONIC
POLYMERS,
POLYAMINE
Use
SAR
for
POLYMERS,
POLYCATIONIC
POLYMERS,
POLYQUATERNARY
AMMONIUM
Use
SAR
for
POLYMERS,
POLYCATIONIC
POLYMERS,
POLYPHOSPHONIUM
Use
SAR
for
POLYMERS,
POLYCATIONIC
POLYMERS,
POLYSULFONIUM
Use
SAR
for
POLYMERS,
POLYCATIONIC
POLYNUCLEAR
AROMATICS
Use
SAR
for
NEUTRAL
ORGANICS
POLYSULFIDES
Use
SAR
for
NEUTRAL
ORGANICS
POTASSIUM
No
SAR
available
PRASEODYMIUM
No
SAR
available
PROMETHIUM
No
SAR
available
PROPARGYL
ALCOHOLS
Use
SAR
for
ALCOHOLS,
PROPARGYL
PROPARGYL
CARBAMATES
No
SAR
available,
excess
toxicity
17
PROPARGYLIC
ESTERS
No
SAR
available,
excess
toxicity
PROPARGYL
HALIDE
No
SAR
available,
excess
toxicity,
PROPARGYL
BROMIDE
more
toxic
than
PROPARGYL
CHLORIDE
PROTACTINIUM
No
SAR
available
QUATERNARY
AMMONIUM
SURFACTANTS,
DIALKYL
Use
SAR
for
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
DIALKYL
QUATERNARY
AMMONIUM
SURFACTANTS,
MONOALKYL
Use
SAR
for
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL
QUINONES
No
SAR
available,
para­
benzoquinone,
5500X
excess
toxicity
to
fish
RADIUM
No
SAR
available
RADON
No
SAR
available
RHENIUM
No
SAR
available
RHODIUM
No
SAR
available
RUBIDIUM
No
SAR
available
RUTHENIUM
No
SAR
available
SAMARIUM
No
SAR
available
SCANDIUM
No
SAR
available
SCHIFF
BASES
Use
SAR
for
SCHIFF
BASES,
a
subclass
of
AMINES
with
excess
toxicity;
(R­
N=
C­
R)
SELENIUM
Use
SAR
for
SELENIUM
SEMICARBAZIDES,
ALKYL
SUBSTITUTED
Use
SAR
for
SEMICARBAZIDES,
ALKYL
SUBSTITUTED
SEMICARBAZIDES,
ARYL
META/
PARA
SUBSTITUTED
Use
SAR
for
SEMICARBAZIDES,
ARYL,
META/
PARA
SUBSTITUTED
SEMICARBAZIDES
ARYL
ORTHO
SUBSTITUTED
Use
SAR
for
SEMICARBAZIDES,
ARYL,
ORTHO
SUBSTITUTED
SEMICARBAZIDES
Use
SAR
for
HYDRAZINES
SEMICARBAZONES
Use
SAR
for
HYDRAZINES
SILANES,
ALKOXY
RSi(
OR)(
OR)(
OR)
and
CHLOROSILANES
reactive
with
water
(hydrolyses)
and
generally
shows
low
toxicity
towards
fish,
moderate
toxicity
towards
daphnids,
and
high
toxicity
towards
green
algae;
the
hydrolysis
products
(silic
acids
and
silanols)
probably
overchelate
nutrient
elements
and
inhibit
the
growth
of
algae;
all
SARs
for
silanes
have
to
be
based
on
Kows
which
have
C
substituted
for
Si.
SILICON
No
SAR
available
SILVER
Use
SAR
for
SILVER
SODIUM
No
SAR
available
STRONTIUM
No
SAR
available
SULFIDES
Use
SAR
for
NEUTRAL
ORGANICS
SULFIDES
(C­
S­
C),
DISULFIDES
(C­
S­
S­
C),
and
POLYSULFIDES
Use
SAR
for
NEUTRAL
ORGANICS
SULFONATES,
ALKYL
BENZENE
Use
SAR
for
SURFACTANTS,
ANIONIC
SULFONATES,
ALKYL
Use
SAR
for
SURFACTANTS,
ANIONIC
18
SULFONATES,
METHANE
Use
SAR
for
ESTERS
SULFONIUM
Use
SAR
for
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
if
a
surfactant;
if
not
a
surfactant,
Use
nearest
analog:
PHOSPHONIUM
or
QUATERNARY
AMMONIUM
analogs
are
acceptable.
SULFUR
No
SAR
available
SULFONATES,
LINEAR
ALKYL
Use
SAR
for
SURFACTANTS,
ANIONIC
SULFONYL
CHLORIDES
No
SAR
available,
excess
toxicity
(RS(=
O)(=
O)
Cl)
SURFACTANTS,
ALCOHOL
ETHOXYLATE
Use
SAR
for
SURFACTANTS,
NONIONIC
SURFACTANTS,
ALKYL
ETHOXYLATE
Use
SAR
for
SURFACTANTS,
NONIONIC
SURFACTANTS,
AMPHOTERIC
Use
SAR
for
SURFACTANTS,
ANIONIC
SURFACTANTS,
ANIONIC
Use
SAR
for
SURFACTANTS,
ANIONIC
SURFACTANTS,
ANIONIC,
CARBOXYLIC
ACID
No
SAR
available
SURFACTANTS,
ANIONIC,
ALKYL­
BENZENE­
SULFONATE
Use
SAR
for
SURFACTANTS,
ANIONIC
SURFACTANTS,
ANIONIC,
ALKYL­
SULFONATE
Use
SAR
for
SURFACTANTS,
ANIONIC
,calculate
Kow
of
alkyl,
convert
to
equivalent
alkyl­
benzene
based
on
equivalent
Kow
and
use
SAR
for
SURFACTANTS,
ANIONIC
SURFACTANTS,
ANIONIC,
PHOSPHATE
Use
SAR
for
SURFACTANTS,
ANIONIC
SURFACTANTS,
ANIONIC,
ALKYL­
ETHOXYLATE­
SULFONATE
Use
SAR
for
SURFACTANTS,
ANIONIC
to
predict
toxicity
of
alkyl­
sulfonate
and
then
adjust
toxicity
depending
on
number
of
ethoxylates
SURFACTANTS,
ANIONIC,
ALKYL­(
SULFONATE
and
CARBOXYLIC
ACID)
No
SAR
available;
predict
toxicity
of
alkyl­
sulfonate
and
divide
effective
concentration
by
10
times
SURFACTANTS,
ANIONIC,
TWEEN­
TYPE
No
SAR
available,
Use
nearest
analog
SURFACTANTS,
CATIONIC,
ALKYL­
NITROGEN­
ETHOXYLATES
Use
SAR
for
SURFACTANTS,
ETHOMEEN
ETHOMEEN
Use
SAR
for
SURFACTANTS,
ETHOMEEN
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM
DIALKYL
Use
SAR
for
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
DIALKYL,
with
two
large
alkyl
chains
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL
Use
SAR
for
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL,
with
one
large
alkyl
chain
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
N­
ETHOXYLATED
Use
SAR
for
SURFACTANTS,
CATIONIC
QUATERNARY
AMMONIUM,
MONOALKYL,
if
ethoxy
19
groups
are
less
than
five.
If
ethoxylates
are
greater
than
five,
Use
SAR
for
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM
MONOALKYL
and
then
reduce
toxicity
due
to
the
presence
of
the
ethoxylates
through
the
use
of
the
SAR
for
SURFACTANTS,
NONIONIC.
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM
TRIALKYL
Use
SAR
for
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL,
three
large
alkyls,
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
TETRAALKYL
Use
SAR
for
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL,
four
large
alkyls
SURFACTANTS,
NONIONIC
SURFACTANTS,
ETHOMEEN
Use
SAR
for
SURFACTANTS,
ETHOMEEN
SURFACTANTS,
LINEAR
ALKYL
BENZENE
SULFONATES
Use
SAR
for
SURFACTANTS,
ANIONIC
SURFACTANTS,
NONIONIC
Use
SAR
for
SURFACTANTS,
NONIONIC
SURFACTANT,
NONIONIC,
ALKYL­
ETHOXYLATES
Use
SAR
for
SURFACTANTS,
NONIONIC
SURFACTANT,
NONIONIC,
ALKYL­
ETHOXYLATE­
ALKYL
No
SAR
available,
use
nearest
analog
SURFACTANT,
NONIONIC,
TWEEN­
TYPE
No
SAR
available,
Use
nearest
analog
SULFONATES,
LINEAR
ALKYL
BENZENE
Use
SAR
for
SURFACTANTS,
ANIONIC
TANTALUM
No
SAR
available
TECHNIUM
No
SAR
available
TELLURIUM
No
SAR
available
TERBIUM
No
SAR
available
TERPENES
Use
SAR
for
NEUTRAL
ORGANICS
THALLIUM
Use
SAR
for
THALLIUM
THIAZOLINONES,
ISO
Use
SAR
for
THIAZOLINONES,
ISO
THIOLS
(MERCAPTANS)
Use
SAR
for
THIOLS
THIOHYDRAZIDES
Use
SAR
for
HYDRAZINES
THIOSEMICARBAZIDES
Use
SAR
for
HYDRAZINES
THIOSEMICARBAZONES
Use
SAR
for
HYDRAZINES
THORIUM
No
SAR
available
THULIUM
No
SAR
available
TIN
No
SAR
available
for
inorganic
tins
or
organotins,
Use
nearest
analog
TITANIUM
Use
SAR
for
TITANIUM
TRIAZIDES,
BENZO,
N­
ALKYL
SUBSTITUTED
Use
SAR
for
NEUTRAL
ORGANICS
TRIAZINES,
SUBSTITUTED
See
SAR
for
TRIAZINES,
SUBSTITUTED
TRIAZOLES
No
SAR
available,
excess
toxicity,
Use
nearest
analogs
TRIAZOLES,
AMINO
Use
SAR
for
NEUTRAL
ORGANICS,
herbicide,
excess
toxicity,
TRIAZOLES,
BENZO
Use
SAR
for
BENZOTRIAZOLES
TUNGSTEN
Use
SAR
for
TUNGSTEN
20
VANADIUM
Use
SAR
for
VANADIUM
URANIUM
No
SAR
available
UREAS,
CYCLIC
Use
SAR
for
NEUTRAL
ORGANICS
UREAS,
SUBSTITUTED
Use
SAR
for
UREAS,
SUBSTITUTED
for
green
algae;
to
predict
toxicity
to
fish
and
aquatic
invertebrates,
Use
SAR
for
NEUTRAL
ORGANICS
VINYL
AMIDES
No
SAR
available
VINYL
ESTERS
No
SAR
available
VINYL
NITROS
No
SAR
available,
á­
nitro­
styrene,
excess
toxicity,
(R­
C=
C=
N(=
O)(=
O))
VINYL
SULFONE
No
SAR
available,
e.
g.,
divinyl
sulfone,
excess
toxicity,
(C=
C­
S(=
O)(=
O)­
R)
XENON
No
SAR
available
YTTERBIUM
No
SAR
available
YTTRIUM
No
SAR
available
ZINC
Use
SAR
for
ZINC
ZIRONIUM
Use
SAR
for
ZIRCONIUM
21
CHEMICAL
CLASSES
AND
THEIR
STRUCTURE
ACTIVITY
RELATIONSHIPS
22
ACID
CHLORIDES
9/
1993
23
SAR
ACID
CHLORIDES
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
0.565
­
0.613
log
Kow
Statistics:
N
=
3;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
acid
chlorides.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility.

References:
Curtis
MW,
Copeland
TL,
and
Ward
CH.
1978.
Aquatic
toxicity
of
substances
proposed
for
spill
prevention
regulation.
Proc.
Natl.
Conf.
Control
of
Hazardous
Material
Spills,
Miami
Beach,
FL.
p.
93­
103.

Curtis
MW
and
Ward
CH.
1981.
Aquatic
toxicity
of
forty
industrial
chemicals:
testing
in
support
of
hazardous
substance
spill
prevention
regulation.
J.
Hydrol.
51:
359­
367.

LIST
OF
ACID
CHLORIDES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Benzoyl
chloride
34.7
1.9
C1
Benzoyl
chloride
34.1
1.9
C2
____________________________________________________________________________________
____
C1
=
Curtis
et
al
(1978)
C2
=
Curtis
et
al
(1981)
ACID
CHLORIDES
9/
1993
24
ALCOHOL,
PROPARGYL
9/
1993
25
SAR
ALCOHOLS,
PROPARGYL
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
0.056
­
0.511
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
propargyl
alcohols.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
use
SAR
with
longer
duration.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.

LIST
OF
PROPARGYL
ALCOHOLS
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Chemical
identity
CBI
310.0
­0.4
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991);
chemical
identity
is
Confidential
Business
Information
under
TSCA.
ALCOHOL,
PROPARGYL
9/
1993
26
ACRYLATES
7/
1988
27
SAR
ACRYLATES
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
­1.46
­
0.18
log
Kow
Statistics:
N
=
10;
R
2
=
0.627
Maximum
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
acrylates
and
polyacrylates.
Allyl
acrylate
is
expected
to
be
about
30
times
more
toxic
than
predicted
by
this
SAR.

Limitations:
References:
Nabholz
JV
and
Platz
RD.
1987.
Environmental
effects
of
acrylates
and
methacrylates.
I.
Category
Program
Support
Document
­
Generic
SNUR
and
II.
Generic
Environmental
Hazard
Assessment
(Addendum
to
Standard
Review
of
PMN
87­
930/
931).
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency
20460­
0001.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.
ACRYLATES
7/
1988
28
LIST
OF
ACRYLATES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
2­
Hydroxyethyl
acrylate
4.8
­0.058
EPA
2­
Hydroxypropyl
acrylate
3.61
0.251
EPA
2­
Hydroxypropyl
acrylate
3.26
0.251
EPA
2­
Hydroxypropyl
acrylate
3.10
0.251
EPA
Chemical
identity
CBI
13.0
1.6
EPA
Isobutyl
acrylate
2.110
2.204
EPA
Isobutyl
acrylate
2.090
2.204
EPA
Cyclohexyl
acrylate
1.48
2.778
EPA
Hexyl
acrylate
1.14
3.392
EPA
Hexyl
acrylate
1.09
3.392
EPA
Lauryl
acrylate
*
6.566
EPA
____________________________________________________________________________________
____

*
No
mortalities
within
96
hours
at
saturation.

EPA
=
USEPA
(1991);
chemical
identity
is
Confidential
Business
Information
under
TSCA.
ACRYLATES
7/
1988
29
SAR
ACRYLATES
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
Equation:
Log
LC50
(mM/
L)
=
0.009
­
0.511
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
acrylates.

Limitations:
References:
Beach
SA.
1990.
Acute
toxicity
of
isooctyl
acrylate
to
Daphnia
magna.
St
Paul,
MN:
3M
Environmental
Laboratory,
3M
Company;
Toxicity
Test
Report.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
ACRYLATES
USED
TO
DEVELOP
THE
DAPHNID
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Chemical
identity
CBI
59.0
0.78
EPA
Isooctyl
acrylate
1.2
4.3
B
____________________________________________________________________________________
____

B
=
Beach
(1990)
EPA
=
USEPA
(1991);
Chemical
identity
is
Confidential
Business
Information
under
TSCA.
ACRYLATES
7/
1988
30
ACRYLATES
7/
1988
31
SAR
ACRYLATES
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
(Growth)

Equation:
Log
EC50
(mM/
L)
=
­1.02
­
0.49
log
Kow
Statistics:
N
=
3;
R
2
=
0.91
Maximum
log
Kow
:
6.4
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
acrylates.

Limitations:
If
the
log
Kow
value
is
greater
than
6.4,
or
if
the
compound
is
solid
and
the
EC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
ACRYLATES
USED
TO
DEVELOP
THE
SAR.
____________________________________________________________________________________
____
96­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Chemical
identity
CBI
2.2
0.78
EPA
Chemical
identity
CBI
18.5
1.6
EPA
____________________________________________________________________________________
____

EPA
=
U.
S.
EPA
(1991);
Chemical
identities
are
Confidential
Business
Information
under
TSCA.
ACRYLATES
7/
1988
32
ACRYLATES
7/
1988
33
SAR
ACRYLATES
Organism:
Fish
Duration:
32­
d
Endpoint:
Chronic
Value
(Survival/
Growth)

Equation:
Log
ChV
(mM/
L)
=
­1.99
­
0.526
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
acrylates.

Limitations:
If
the
ChV
is
greater
than
water
solubility
or
the
log
Kow
is
greater
than
8.0,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Fish
Chronic
Toxicity
Data
Base.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA,
6201
Congdon
Boulevard,
55804;
contact
C.
L.
Russom
(218)
720­
5500.

LIST
OF
ACRYLATES
USED
TO
DEVELOP
THE
FISH
CHRONIC
VALUE
(ChV)
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
2­
Hydroxyethyl
acrylate
1.33
­0.1
D
____________________________________________________________________________________
____

D
=
USEPA
(1991)
ACRYLATES
7/
1988
34
ACRYLATES,
METHACRYLATES
9/
1993
35
SAR
ACRYLATES,
METHACRYLATES
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
0.552
­
0.715
log
Kow
Statistics:
N
=
19;
R
2
=
0.774
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
methacrylates
and
polyacrylates.
Allyl
methacrylate
is
about
35
times
more
toxic
than
predicted
by
this
SAR.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Nabholz
JV
and
Platz
RD.
1987.
Environmental
effects
of
acrylates
and
methacrylates.
I.
Category
Program
Support
Document
­
Generic
SNUR
and
II.
Generic
Environmental
Hazard
Assessment
(Addendum
to
Standard
Review
of
PMN
87­
930/
931).
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency
20460­
0001.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.
ACRYLATES,
METHACRYLATES
9/
1993
36
LIST
OF
METHACRYLATES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Methylene
chloride
322.895
1.25
Z
2­
Hydroxyethyl
methacrylate
227.0
0.251
EPA
Methylmethacrylate
151.0
1.056
EPA
Tetrahydrofurfuryl
34.7
1.297
EPA
2­
Ethoxyethyl
methacrylate
27.7
1.402
EPA
3­(
Trimethoxysilyl)
propyl
175.0
1.464
EPA
Allyl
methacrylate
0.99
1.570
EPA
Chemical
identity
CBI
34.0
1.774
EPA
Chemical
identity
CBI
32.0
1.774
EPA
Isopropyl
methacrylate
38.0
1.894
EPA
Benzyl
methacrylate
4.67
2.824
EPA
____________________________________________________________________________________
____
EPA
=
USEPA
(1991);
chemical
identity
is
Confidential
Business
Information
under
TSCA.
ALDEHYDES
7/
1988
37
SAR
ALDEHYDES
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
­0.449
log
Kow
­
0.314
Statistics:
N
=
54;
R
2
=
0.527
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
aldehydes.
Acrolein
is
about
1400
times
more
toxic
than
predicted
by
this
SAR.

Limitations:

References:
Brooke
LT,
Call
DJ,
Geiger
DL,
and
Northcott
CE.
1984.
Acute
toxicity
of
organic
chemicals
to
fathead
minnows
(Pimephales
promelas).
Volume
I.
Center
for
Lake
Superior
Environmental
Studies,
University
of
Wisconsin
­
Superior.
Superior,
Wisconsin.

Geiger
DL,
Northcott
CE,
Call
DJ,
and
Brooke
LT.
1985.
Acute
toxicity
of
organic
chemicals
to
fathead
minnows
(Pimephales
promelas).
Volume
II.
Center
for
Lake
Superior
Environmental
Studies,
University
of
Wisconsin
­
Superior.
Superior,
Wisconsin.

Geiger
DL,
Poirier
SH,
Brooke
LT,
and
Call
DJ.
1986.
Acute
toxicity
of
organic
chemicals
to
fathead
minnows
(Pimephales
promelas).
Volume
III
Center
for
Lake
Superior
Environmental
Studies,
University
of
Wisconsin
­
Superior.
Superior,
Wisconsin.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
Fish
acute
toxicity
databae.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA.
6201
congdon
Blvd,
55804;
contact
C.
L.
Russom
(218)
720­
5500.
ALDEHYDES
7/
1988
38
LIST
OF
ALDEHYDES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Ethanal
30.800
­0.22
EPA
Butanal
#1
19.000
0.88
EPA
Butanal
#2
16.000
0.88
EPA
Butanal
#3
13.400
0.88
EPA
2­
Methylbutyraldehyde
9.970
1.14
EPA
Vanillin
#2
123.000
1.21
EPA
Vanillin
#1
57.000
1.21
EPA
Isovaleraldehyde
3.250
1.23
EPA
Valeraldehyde
#1
12.400
1.36
EPA
Valeraldehyde
#2
13.400
1.37
EPA
o­
Vanillin
#1
2.600
1.37
EPA
o­
Vanillin
#2
2.200
1.37
EPA
2,4,5­
Trimethoxybenzaldehyde
49.500
1.38
EPA
Benzaldehyde
#2
12.800
1.48
EPA
Benzaldehyde
#1
7.610
1.48
EPA
4­
Nitrobenzaldehyde
10.100
1.50
EPA
5­
Hydroxy­
2­
nitrobenzaldehyde
41.900
1.65
EPA
2­
Methylvaleraldehyde
18.800
1.67
EPA
2,4­
Dihydroxybenzaldehyde
13.100
1.71
EPA
o­
Nitrobenzaldehyde
#1
12.500
1.74
EPA
o­
Nitrobenzaldehyde
#2
16.600
1.74
EPA
o­
Fluorobenzaldehyde
1.350
1.76
EPA
Hexanal
#1
22.000
1.78
EPA
Hexanal
#2
14.000
1.78
EPA
p­
Dimethylaminobenzaldehyde
45.700
1.81
EPA
Salicylaldehyde
2.300
1.81
EPA
3­
Ethoxy­
4­
hydroxybenzaldehyde
87.600
1.88
EPA
5­
Bromo­
2­
nitrovanillin
73.300
1.88
EPA
2,4­
Dimethoxybenzaldehyde
20.100
1.91
EPA
2,3­
Dimethylvaleraldehyde
16.000
2.07
EPA
5­
Bromovanillin
59.700
2.09
EPA
4­
Chlorobenzaldehyde
2.200
2.10
EPA
o­
Tolualdehyde
52.900
2.26
EPA
2­
Chloro­
5­
nitrobenzaldehyde
#1
3.800
2.28
EPA
2­
Chloro­
5­
nitrobenzaldehyde
#2
3.950
2.28
EPA
p­
Ethoxybenzaldehyde
28.100
2.31
EPA
4,6­
Dimethoxy­
2­
hydroxy
benzaldehyde
2.680
2.33
EPA
Pentafluorobenzaldehyde
1.100
2.45
EPA
á,
á,
á­
Trifluoro­
m­
tolualdehyde
#3
1.130
2.47
EPA
á,
á,
á­
Trifluoro­
m­
tolualdehyde
#2
0.760
2.47
EPA
á,
á,
á­
Trifluoro­
m­
tolualdehyde
#1
0.920
2.47
EPA_
ALDEHYDES
7/
1988
39
Continued.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
2­
Chloro­
6­
fluorobenzaldehyde
9.410
2.54
EPA
4­(
Diethylamino)
benzaldehyde
23.900
2.94
EPA
5­
Chlorosalicylaldehyde
0.770
3.00
EPA
p­
Isopropyl
benzaldehyde
6.620
3.07
EPA
2,4­
Dichlorobenzaldehyde
1.800
3.11
EPA
5­
Bromosalicylaldehyde
1.300
3.15
EPA
4­(
Diethylamino)
salicylaldehyde
5.360
3.34
EPA
3,5­
Dibromosalicylaldehyde
0.850
3.83
EPA
p­
Phenoxybenzaldehyde
4.600
3.96
EPA
4­(
Hexyloxy)­
m­
anisaldehyde
2.670
3.99
EPA
3­(
3,4­
Dichlorophenoxy)
benzaldehyde
0.300
5.49
EPA
3­(
4­
Tert­
butylphenoxy)
benzaldehyde
0.370
5.93
EPA
Tetradecanal
*
6.12
EPA
____________________________________________________________________________________
____

*
No
effects
at
saturation.

EPA
=
USEPA
(1991)
ALDEHYDES
7/
1988
40
ALDEHYDES
7/
1988
41
SAR
ALDEHYDES
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­0.059
­
0.607
log
Kow
Statistics:
N
=
4;
R
2
=
1.0
Maximum
log
Kow
:
6.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
aldehydes.

Limitations:
References:
Sloof
W,
Canton
JH,
and
Hermens
JLM.
1983.
Comparison
of
the
susceptibility
of
22
freshwater
species
to
15
chemical
compounds.
I.
(Sub)
Acute
toxicity
tests.
Aquatic
Toxicology
4:
113­
128.

LIST
OF
ALDEHYDES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Salicylaldehyde
5.4
2.1
S
Salicylaldehyde
5.5
2.1
S
Salicylaldehyde
5.8
2.1
S
____________________________________________________________________________________
____
S
=
Sloof
et
al
(1983)
ALDEHYDES
9/
1993
42
ALDEHYDES
9/
1993
43
SAR
ALDEHYDES
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
(Growth)

Equation:
Use
green
algae
96­
h
EC50
SAR
developed
for
neutral
organics.

Maximum
log
Kow
:
6.4
Maximum
MW:
1000.0
Application:
The
green
algae
96­
h
SAR
for
neutral
organics
may
be
used
to
estimate
toxicity
for
aldehydes.

Limitations:
References:
See
references
for
neutral
organics.
ALDEHYDES
9/
1993
44
ALDEHYDES
9/
1993
45
SAR
ALDEHYDES
Organism:
Fish
Duration:
32­
d
Endpoint:
Chronic
Value
(Survival/
Growth)

Equation:
Log
ChV
=
­0.81
­
0.68
log
Kow
Statistics:
N
=
3;
R
2
=
0.97
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
aldehydes.

Limitations:
If
the
log
Kow
is
greater
than
8.0,
or
if
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Fish
Chronic
Toxicity
Data
Base.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA,
6201
Congdon
Boulevard,
55804;
contact
C.
L.
Russom
(218)
720­
5500.

LIST
OF
ALDEHYDES
USED
TO
DEVELOP
THE
FISH
32­
d
Chronic
Value
(Survival/
Growth)
SAR.
____________________________________________________________________________________
____
32­
d
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
o­
Tolualdehyde
1.61
2.1
D
á,
á,
á­
Trifluoro­
m­
tolualdehyde
0.19
2.6
D
____________________________________________________________________________________
____

D
=
USEPA
(1991)
ALDEHYDES
9/
1993
46
ALDEHYDES
9/
1993
47
SAR
ALDEHYDES
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
Chronic
Value
(Growth)

Equation:
Use
the
equation
for
the
green
algae
chronic
value
SAR
developed
for
neutral
organics.

Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
The
green
algae
chronic
value
SAR
for
neutral
organics
may
be
used
to
estimate
toxicity
for
aldehydes.

Limitations:
If
the
log
Kow
is
greater
than
8.0,
or
if
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Sloof
W,
Canton
JH,
and
Hermens
JLM.
1983.
Comparison
of
the
susceptibility
of
22
freshwater
species
to
15
chemical
compounds.
I.
(Sub)
Acute
toxicity
tests.
Aquatic
Toxicology
4:
113­
128.
ALDEHYDES
9/
1993
48
AMINES,
ALIPHATICC
9/
1993
49
SAR
AMINES,
ALIPHATIC
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
0.72
­
0.64
log
Kow
Statistics:
N
=
55;
R
2
=
0.82
Maximum
log
Kow
:
6.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
aliphatic
amines.

Limitations:
If
the
log
Kow
value
is
greater
than
6.0,
no
effects
expected
in
a
saturated
solution.

References:
Bridie
AL,
Wolff
CJM,
and
Winter
M.
1979.
The
acute
toxicity
of
some
petrochemicals
to
goldfish.
Water
Research
13:
623­
626.

Brooke
LT,
Call
DJ,
Geiger
DL,
and
Northcott
CE
(eds).
1984.
Acute
toxicities
of
organic
chemicals
to
fathead
minnows
(Pimephales
promelas).
Superior,
WI:
Center
for
Lake
Superior
Environmental
Studies,
University
of
Wisconsin­
Superior.
Volume
I.

Calamari
D,
DaGasso
R,
Galassi
S,
Provini
A,
and
Vighi
M.
1980.
Biodegradation
and
toxicity
of
selected
amines
on
aquatic
organisms.
Chemosphere
9:
753­
762.

Geiger
DL,
Piorier
SH,
Brooke
LT,
and
Call
DJ
(eds).
1986.
Acute
toxicities
of
organic
chemicals
to
fathead
minnows
(Pimephales
promelas).
Superior,
WI:
Center
for
Lake
Superior
Environmental
Studies,
University
of
Wisconsin­
Superior.
Volume
III.

Geiger
DL,
Call
DJ,
and
Brooke
LT
(eds).
1988.
Acute
toxicities
of
organic
chemicals
to
fathead
minnows
(Pimephales
promelas).
Superior,
WI:
Center
for
Lake
Superior
Environmental
Studies,
University
of
Wisconsin­
Superior.
Volume
IV.

Platz
RD
and
Nabholz
JV.
1990.
Generic
environmental
hazard
assessment
of
aliphatic
amines.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.
Unpublished
manuscript.
AMINES,
ALIPHATIC
9/
1993
50
United
States
Environmental
Protection
Agency
(USEPA).
1990.
Summary
of
structure­
activity
data
files:
University
of
Wisconsin
Superior
(UWS)
and
Environmental
Research
Laboratory,
Duluth,
MN
(ERL­
D)
research
team.
Computer
printout
from
Environmental
Effects
Branch,
HERD,
USEPA,
Washington,
DC.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.
AMINES,
ALIPHATICC
9/
1993
51
LIST
OF
ALIPHATIC
AMINES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Triethanolamine
1180.000
­1.59
EPA1
1,3­
Diaminopropane
1190.000
­1.49
BR
Diethanolamine
47100.000
­1.46
EPA1
Ethanolamine
2070.000
­1.30
EPA1
Ethylenediamine
220.000
­1.22
EPA1
1,2­
Diaminopropane
1010.000
­0.91
BR
Morpholine
380.000
­0.72
C
2­
Methoxyethylamine
524.000
­0.67
BR
Dimethylamine
118.000
­0.52
C
2­(
Ethylamino)
ethanol
1480.000
­0.46
BR
Allylamine
27.000
­0.15
B
Ethylamine
227.000
­0.14
EPA1
N­(
3­
Methoxypropyl)­
3,4,5­
trimethoxybenzylamine
136.000
0.09
EPA1
5­
Diethylamino­
2­
pentanone
336.000
0.35
G1
Propylamine
308.000
0.39
BR
N,
N­
Diethylethanolamine
1780.000
0.40
G1
Diallylamine
20.000
0.51
B
Diethylamine
855.000
0.54
BR
Diethylamine
182.000
0.54
C
tert­
Butylamine
270.000
0.57
C
3­
Dimethylaminopropyl
chloride
hydrochloride
133.000
0.66
G1
sec­
Butylamine
275.000
0.70
EPA1
2­(
Diisopropylamino)
ethanol
201.000
0.86
G2
n­
Butylamine
268.000
0.92
G1
Benzylamine
102.000
1.09
EPA1
1,2­
Dimethylpropylamine
284.000
1.10
G1
Diisopropylamine
196.000
1.16
C
2,2­
Dimethyl­
1­
propylamine
475.000
1.19
G1
1,8­
Diamino­
p­
menthane
65.300
1.23
G2
Tripropargylamine
296.000
1.26
G1
Cyclohexylamine
90.000
1.37
C
N,
N­
bis(
2,2­
Diethoxyethyl)
methylamine
634.000
1.39
G1
N,
N­
bis(
2,2­
Diethoxyethyl)
methylamine
637.000
1.39
G1
Amylamine
177.000
1.45
G1
3,3­
Dimethylbutylamine
602.000
1.72
G2
Chemical
Identity
CBI
778.000
1.93
EPA
N,
N­
Dimethylbenzylamine
37.800
1.98
EPA1
Hexylamine
56.600
1.98
G1
____________________________________________________________________________________
____
AMINES,
ALIPHATIC
9/
1993
52
Continued.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____

1­
Adamantylamine
25.000
2.00
G1
N­
Ethylbenzylamine
57.100
2.04
EPA1
tert­
Octylamine
24.600
2.43
G2
Heptylamine
21.800
2.51
BR
Dibutylamine
37.000
2.66
C
Tripropylamine
50.900
2.82
G1
1­
Methylheptylamine
5.110
2.82
BR
1­
Methylheptylamine
5.280
2.82
BR
N,
N­
Diethylcyclohexylamine
21.400
2.98
G2
Octylamine
5.190
3.04
G2
Nonylamine
2.160
3.57
EPA1
Chemical
identity
CBI
2.800
4.10
EPA
Decylamine
1.030
4.10
EPA1
Undecylamine
0.210
4.63
EPA1
Dihexylamine
0.780
4.77
BR
Dodecylamine
0.103
5.16
EPA1
Tridecylamine
0.065
5.68
EPA1
____________________________________________________________________________________
____

EPA
=
USEPA
(1991);
Chemical
identity
is
Confidential
Business
Information
under
TSCA.
EPA1
=
USEPA
(1990)
BR
=
Brooke
et
al
(1984)
B
=
Bridie
et
al
(1979)
C
=
Calamari
et
al
(1980)
G1
=
Geiger
et
al
(1986)
G2
=
Geiger
et
al
(1988)
AMINES,
ALIPHATIC
53
SAR
AMINES,
ALIPHATIC
Organism:
Daphnids
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­0.524
­
0.584
log
Kow
Statistics:
N
=
10;
R
2
=
0.78
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
aliphatic
amines.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
no
effects
expected
in
a
saturated
solution.

References:
Cowgill
UM,
Takahashi
IT,
and
Applegath
SL.
1985.
A
comparison
of
the
effect
of
four
benchmark
chemicals
on
Daphnia
magna
and
Ceriodaphnia
dubia/
affinis
tested
at
two
different
temperatures.

Gersich
FM,
Milazzo
DP,
and
Voos­
Esquivel
C.
1988.
An
invertebrate
life­
cycle
study
of
the
toxicity
of
Daphnia
magna
Straus.
Mammalian
and
Environmental
Toxicology
Research
Laboratory.
Dow
Chemical
Company.
Study
ID:
ES­
DR­
0065­
5425­
6.

LeBlanc
GA.
1980.
Acute
toxicity
of
priority
pollutants
to
water
flea
(Daphnia
magna).
Bulletin
of
Environmental
Contamination
and
Toxicology
24:
684­
691.

Platz
RD
and
Nabholz
JV.
1990.
Generic
environmental
hazard
assessment
of
aliphatic
amines.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.
Unpublished
manuscript.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.

Van
Leeuwen
CJ,
Maas­
Diepeveen
JL,
Niebeek
G,
Vergouw
WHA,
Griffioen
PS,
and
Luijken
MW.
1985.
Aquatic
toxicological
aspects
of
dithiocarbamates
and
related
compounds.
I.
Short­
term
toxicity
tests.
Aquatic
Toxicology
7:
145­
164.
AMINES,
ALIPHATIC
54
LIST
OF
ALIPHATIC
AMINES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____

Diethanolamine
131.000
­1.46
C
Diethanolamine
55.000
­1.46
L
Ethylenediamine
26.500
­1.22
VL
Chemical
identity
CBI
1760.000
­0.90
EPA
Dimethylamine
50.000
­0.52
VL
Chemical
identity
CBI
4.300
0.44
EPA
Diethylamine
56.000
0.54
VL
Chemical
identity
CBI
15.000
1.03
EPA
Chemical
identity
CBI
3.800
2.74
EPA
2­(
Decylthio)
ethylamine
hydrochloride
0.033
4.85
G
____________________________________________________________________________________
____

C
=
Cowgill
et
al
(1985)
EPA
=
USEPA
(1991);
Chemical
identity
is
Confidential
Business
Information
under
TSCA.
G
=
Gersich
et
al
(1988)
L
=
LeBlanc
(1980)
VL
=
Van
Leeuwen
et
al
(1985)
AMINES,
ALIPHATIC
55
SAR
AMINES,
ALIPHATIC
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
(Growth)

Equation:
Log
96­
h
EC50
(mM/
L)
=
­0.548
­
0.434
log
Kow
Statistics:
N
=
14;
R
2
=
0.74
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
aliphatic
amines.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
no
effects
expected
in
a
saturated
solution.

References:
Calamari
D,
DaGasso
R,
Galassi
S,
Provini
A,
and
Vighi
M.
1980.
Biodegradation
and
toxicity
of
selected
amines
on
aquatic
organisms.
Chemosphere
9:
753­
762.

Platz
RD
and
Nabholz
JV.
1990.
Generic
environmental
hazard
assessment
of
aliphatic
amines.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.
Unpublished
manuscript.

United
States
Environmental
Protection
Agency
(USEPA).
1990.
Summary
of
structure­
activity
data
files:
University
of
Wisconsin
Superior
(UWS)
and
Environmental
Research
Laboratory,
Duluth,
MN
(ERL­
D)
research
team.
Computer
printout
from
Environmental
Effects
Branch,
HERD,
USEPA,
Washington,
DC.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.

Van
Leeuwen
CJ,
Maas­
Diepeveen
JL,
Niebeek
G,
Vergouw
WHA,
Griffioen
PS,
and
Luijken
MW.
1985.
Aquatic
toxicological
aspects
of
dithiocarbamates
and
related
compounds.
I.
Short­
term
toxicity
tests.
Aquatic
Toxicology
7:
145­
164.
AMINES,
ALIPHATIC
56
LIST
OF
ALIPHATIC
AMINES
USED
TO
DEVELOP
THE
ALGAL
96­
h
EC50
SAR.
____________________________________________________________________________________
____
96­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____

Ethylenediamine
61.000
­1.22
VL
Morpholine
28.000
­0.72
C
Dimethylamine
30.000
­0.52
VL
Dimethylamine
9.000
­0.52
C
Diethylamine
20.000
0.54
C
Diethylamine
56.000
0.54
VL
tert­
Butylamine
16.000
0.57
C
Chemical
identity
CBI
1.800
1.03
EPA
Diisopropylamine
20.000
1.16
C
Cyclohexylamine
20.000
1.37
C
Dibutylamine
19.000
2.66
C
Chemical
identity
CBI
1.040
2.74
EPA
Octylamine
0.220
3.04
EPA1
Chemical
identity
CBI
0.130
6.85
EPA
____________________________________________________________________________________
____

C
=
Calamari
et
al
(1980)
EPA1
=
USEPA
(1990)
EPA
=
USEPA
(1991);
Chemical
identity
is
Confidential
Business
Information
under
TSCA.
VL
=
Van
Leeuwen
et
al
(1985)
AMINES,
ALIPHATIC
57
SAR
AMINES,
ALIPHATIC
Organism:
Green
Algae
Duration:
Endpoint:
Chronic
Value
(Growth)

Equation:
Log
ChV
(mM/
L)
=
­1.399
­
0.334
log
Kow
Statistics:
N
=
11;
R
2
=
0.61
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
aliphatic
amines.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
no
effects
expected
at
saturation.

References:
Calamari
D,
DaGasso
R,
Galassi
S,
Provini
A,
and
Vighi
M.
1980.
Biodegradation
and
toxicity
of
selected
amines
on
aquatic
organisms.
Chemosphere
9:
753­
762.

Platz
RD
and
Nabholz
JV.
1990.
Generic
environmental
hazard
assessment
of
aliphatic
amines.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.
Unpublished
manuscript.

United
States
Environmental
Protection
Agency
(USEPA).
1989.
Report
on
alga
toxicity
tests
on
selected
OTS
chemicals.
Unpublished
preliminary
draft.
Corvallis
Environmental
Research
Laboratory.
Corvallis,
OR:
United
States
Environmental
Protection
Agency.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.
AMINES,
ALIPHATIC
58
LIST
OF
ALIPHATIC
AMINES
USED
TO
DEVELOP
THE
ALGAL
ChV
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____

Morpholine
1.000
­0.72
C
Dimethylamine
2.000
­0.52
C
Diethylamine
2.000
0.54
C
tert­
Butylamine
2.000
0.57
C
Chemical
identity
CBI
0.110
1.03
EPA2
Diisopropylamine
5.000
1.16
C
Cyclohexylamine
5.000
1.37
C
Dibutylamine
2.500
2.66
C
Chemical
identity
CBI
0.410
2.74
EPA2
Octylamine
0.650
3.04
EPA1
Chemical
identity
CBI
0.050
6.85
EPA2
____________________________________________________________________________________
____

C
=
Calamari
et
al
(1980)
EPA1
=
USEPA
(1989)
EPA2
=
USEPA
(1991);
Chemical
identity
is
Confidential
Business
Information
under
TSCA.
ANILINES
7/
1988
59
SAR
ANILINES
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
0.956
­
0.739
log
Kow
Statistics:
N
=
20;
R
2
=
0.882
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
anilines.

Limitations:
Di­
and
tri­
nitroanilines
are
more
toxic
than
predicted;
a
fish
96­
h
LC50
SAR
has
been
developed
for
dinitroanilines.

2,3,5,6­
Tetrachloroaniline
is
19
times
more
toxic
than
predicted
by
this
SAR.
Tetrabromoaniline
may
be
more
toxic
than
predicted
by
this
SAR
as
well.

N­
substituted
anilines
are
less
toxic
than
predicted
by
this
SAR;
for
these
compounds
use
the
neutral
organics
fish
96­
h
LC50
SAR.

If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Veith
GD
and
Broderius
SJ.
1987.
Structure­
toxicity
relationships
for
industrial
chemicals
causing
type
(II)
narcosis
syndrome.
In:
Kaiser
KLE
(ed.).
QSAR
in
Environmental
Toxicology­
II.
Boston,
MA:
D.
Reidel
Pub.
Co.,
pp.
385­
391.
ANILINES
7/
1988
60
LIST
OF
ANILINES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____

ANILINES
USED
IN
CALCULATION
OF
THIS
SAR
aniline
134.0
0.9
VB
4­
nitroaniline
125.0
1.3
VB
4­
toluidine
149.0
1.4
VB
4­
chloroaniline
32.5
1.8
VB
4­
ethylaniline
73.0
2.0
VB
pentafluoroaniline
37.1
2.2
VB
2­
chloro­
4­
nitroaniline
20.2
2.2
VB
4­
bromoaniline
47.5
2.3
VB
4­
ethoxy­
2­
nitroaniline
26.0
2.5
VB
á,
á,
á­
4­
tetrafluoro
2­
toluidine
29.6
2.6
VB
á,
á,
á­
4­
tetrafluoro
3­
toluidine
30.1
2.6
VB
3,4­
dichloroaniline
7.6
2.7
VB
3­
benzyloxyaniline
9.14
2.8
VB
4­
butylaniline
10.2
3.2
VB
2,3,6­
trichloroaniline
3.64
3.3
VB
4­
hexyloxyaniline
3.2
3.7
VB
2,6­
diisopropylaniline
15.3
4.1
VB
4­
octylaniline
0.120
5.3
VB
4­
decylaniline
0.062
6.3
VB
4­
dodecyl
aniline
.*
7.4
VB
ANILINES
WITH
EXCESS
TOXICITY
2,3,5,6­
tetrachloroaniline
0.270
4.1
VB
____________________________________________________________________________________
____

*
No
fish
mortality
in
saturated
solutions.

VB
=
Veith
and
Broderius
(1987)
ANILINES
9/
1993
61
SAR
ANILINES
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­1.623
­
0.271
log
Kow
Statistics:
N
=
24;
R
2
=
0.24
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
anilines.

Limitations:
Di­
and
tri­
nitroanilines
are
more
toxic
than
predicted
by
this
SAR;
a
daphnid
48­
h
LC50
SAR
has
been
developed
for
dinitroanilines.

Tetrachloro­
and
tetrabromo­
aniline
may
be
20
times
more
toxic
than
predicted
by
this
SAR.

N­
substituted
anilines
are
less
toxic
than
predicted
by
this
SAR;
for
these
compounds
use
the
neutral
organics
daphnid
48­
h
LC50
SAR.

If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Canton
JH
and
Adema
DMM.
1978.
Reproducibility
of
short­
term
and
reproduction
toxicity
experiments
with
Daphnia
magna
and
comparison
of
the
sensitivity
of
Daphnia
magna
with
Daphnia
pulex
and
Daphnia
cucullata
in
short­
term
experiments.
Hydrobiologia
2:
135­
140.

Kuhn
R,
Pattard
M,
Pernak
K­
D
and
Winter
A.
1989.
Results
of
the
harmful
effects
of
selected
water
pollutants
(anilines,
phenols,
aliphatic
compounds)
to
Daphnia
magna.
Water
Research
23:
495­
499.

Sloof
W,
Canton
JH,
and
Hermens
JLM.
1983.
Comparison
of
the
susceptibility
of
22
freshwater
species
to
15
chemical
compounds.
I.
(Sub)
Acute
toxicity
tests.
Aquatic
Toxicology
4:
113­
128.
ANILINES
9/
1993
62
LIST
OF
ANILINES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
p­
aminophenol
0.240
0.2
K
m­
aminophenol
1.1
0.2
K
aniline
0.640
0.6
S
benzidine
(dianiline)
0.600
1.6
K
4­
aminoacetophenone
5.0
0.9
K
aniline
0.300
0.9
K
aniline
0.100
0.9
CA
aniline
0.680
0.9
CA
p­
methoxyaniline
1.9
1.0
K
2­
amino­
4­
methoxyphenol
3.0
1.3
K
5­
chloro­
2,4­
dimethoxyaniline
1.62
1.8
K
p­
chloroaniline
0.310
1.9
K
m­
chloroaniline
0.350
1.9
K
o­
chloroaniline
1.8
1.9
K
p­
ethylaniline
2.0
2.1
K
o­
bromoaniline
3.0
2.1
K
o­
ethylaniline
14.0
2.1
K
2,4­
dimethylaniline
9.9
2.2
K
3­
trifluoromethylaniline
2.7
2.3
K
4­
chloro­
2­
nitroaniline
3.2
2.6
K
3­
chloro­
4­
methylaniline
0.620
2.6
K
2,6­
dichloroaniline
1.4
2.8
K
2,4­
dichloroaniline
2.7
2.8
K
____________________________________________________________________________________
____

K
=
Kuhn
et
al
(1989)
S
=
Sloof
et
al
(1983)
CA
=
Canton
and
Adema
(1978)
ANILINES
9/
1993
63
SAR
ANILINES
Organism:
Fish
Duration:
32­
d
Endpoint:
Chronic
Value
(Survival/
Growth)

Equation:
Log
ChV
(mM/
L)
=
­1.516
­
0.625
log
Kow
Statistics:
N
=
11;
R
2
=
0.66
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
anilines.

Limitations:
N­
substituted
anilines
are
less
toxic
than
predicted
by
this
SAR;
for
these
compounds
use
the
neutral
organics
fish
ChV
SAR.

If
the
log
Kow
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Bresch
H,
Beck
H,
Ehlermann
D,
Schlaszus
H
and
Urbanek
M.
1990.
A
long­
term
toxicity
test
comprising
reproduction
and
growth
of
zebrafish
with
4­
chloroaniline.
Archives
of
Environmental
Contamination
and
Chemistry
19:
419­
427.

Call
DJ,
Poirier
SH,
Knuth
ML,
Harting
SL
and
Lindbery
CA.
1987.
Toxicity
of
3,4­
dichloroaniline
to
fathead
minnow,
Pimephales
promelas,
in
acute
and
early
life­
stage
exposures.
Bulletin
of
Environmental
Contamination
and
Toxicology
38:
352­
358.

United
States
Environmental
Protection
Agency
(USEPA).
1990.
Rainbow
trout
early
life
stage
toxicity
test
with
2,6­
dichloro­
4­
nitrobenzeneamine.
TSCA
Section
4
Test
Report.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
Fish
Chronic
Toxicity
Data
Base.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA,
6201
Congdon
Boulevard,
55804;
contact
C.
L.
Russom
(218)
720­
5500.

Van
Leeuwen
CJ,
Adema
DMM
and
Hermens
J.
1990.
Quantitative
structure­
activity
relationships
for
fish
early
life
stage
toxicity.
Aquatic
Toxicology
16:
321­
334.
ANILINES
9/
1993
64
LIST
OF
ANILINES
USED
TO
DEVELOP
THE
FISH
CHRONIC
VALUE
(ChV)
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
aniline
1.8
0.9
VL
aniline
0.569
0.9
D
4­
chloroaniline
0.400
1.8
B
3­
chloroaniline
1.0
1.9
VL
3,4­
dichloroaniline
0.020
2.7
C
3,4­
dichloroaniline
0.006
2.7
C
3,5­
dichloroaniline
0.320
2.9
VL
2,6­
dichloro­
4­
nitroaniline
0.016
3.0
EPA
2,4,5­
trichloroaniline
0.056
3.7
VL
2,3,4,5­
tetrachloroaniline
0.032
4.6
VL
pentachloroaniline
0.010
5.1
VL
____________________________________________________________________________________
____

EPA
=
USEPA
(1990)
C
=
Call
et
al
(1987)
D
=
USEPA
(1991)
VL
=
Van
Leeuwen
et
al
(1990)
B
=
Bresch
et
al
(1990)
ANILINES
9/
1993
65
SAR
ANILINES
Organism:
Daphnid
Duration:
16­
d
Endpoint:
Chronic
Value
(Survival/
Reproduction)

Equation:
Log
ChV
(mM/
L)
=
­3.12
­
0.36
log
Kow
Statistics:
N
=
3;;
R
2
=
0.98
Maximum
log
Kow
:
9.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
anilines.

Limitations:
N­
substituted
anilines
are
less
toxic
than
predicted
by
this
SAR;
for
these
compounds
use
the
daphnid
ChV
SAR
for
neutral
organics.

If
the
log
Kow
value
is
greater
than
9.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1990.
Daphnid
Chronic
Toxicity
Tests
with
aniline
and
2­
chloroaniline.
TSCA
Sec.
4
Test
Reports.
Washington,
DC:
U.
S.
Environmental
Protection
Agency,
Office
of
Toxic
Substances.

LIST
OF
ANILINES
USED
TO
DEVELOP
THE
DAPHNID
CHRONIC
VALUE
(ChV)
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
aniline
0.021
0.9
EPA
2­
chloroaniline
0.034
1.9
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1990)
ANILINES
9/
1993
66
ANILINES
9/
1993
67
SAR
ANILINES
Organism:
Green
Algae
Duration:
Endpoint:
Chronic
Value
(Growth)

Equation:
Log
ChV
(mM/
L)
=
­0.411
­
0.588
log
Kow
Statistics:
N
=
5;
R
2
=
1.0
Maximum
log
Kow
:
9.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
anilines.

Limitations:
N­
substituted
anilines
are
less
toxic
than
predicted
by
this
SAR;
for
these
compounds
use
the
neutral
organics
green
algae
ChV
SAR.

If
the
log
Kow
value
is
greater
than
9.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Sloof
W,
Canton
JH,
and
Hermens
JLM.
1983.
Comparison
of
the
susceptibility
of
22
freshwater
species
to
15
chemical
compounds.
I.
(Sub)
Acute
toxicity
tests.
Aquatic
Toxicology
4:
113­
128.

LIST
OF
ANILINES
USED
TO
DEVELOP
THE
GREEN
ALGAE
CHRONIC
VALUE
(ChV)
SAR.
____________________________________________________________________________________
____
Log
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
aniline
11.0
0.9
S
aniline
8.0
0.9
S
aniline
16.0
0.9
S
aniline
10.0
0.9
S
____________________________________________________________________________________
____

S
=
Slooff
et
al
(1987)
ANILINES
9/
1993
68
ANILINES
9/
1993
69
SAR
ANILINES
Organism:
Fish
Duration:
14­
d
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
1.02
­
0.988
log
Kow
Statistics:
N
=
17;
R
2
=
0.783
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
the
following
classes
of
compounds:

1.
Anilines
2.
Chloroanilines
3.
Alkylanilines
Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Hermans
J,
Leeuwangh
P,
and
Musch
A.
1984.
Quantitative
structureactivity
relationships
and
mixture
toxicity
studies
of
chloro­
and
alkylanilines
at
an
acute
lethal
toxicity
level
to
the
guppy,
Poecilia
reticulata.
Ecotoxicology
and
Environmental
Safety
8:
388­
394.
ANILINES
9/
1993
70
LIST
OF
ANILINES
USED
TO
DEVELOP
THE
FISH
14­
d
LC50
SAR.
____________________________________________________________________________________
____
Log
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Aniline
125.0
1.03
H
2­
Methylaniline
81.3
1.54
H
3­
Methylaniline
36.3
1.54
H
4­
Methylaniline
10.7
1.54
H
2­
Chloroaniline
6.2
1.76
H
3­
Chloroaniline
13.4
1.76
H
4­
Chloroaniline
26.0
1.76
H
2­
Ethylaniline
74.7
2.07
H
3­
Ethylaniline
27.1
2.07
H
4­
Ethylaniline
29.1
2.07
H
2,5­
Dichloroaniline
1.65
2.42
H
2,4­
Dichloroaniline
6.3
2.42
H
3,5­
Dichloroaniline
3.9
2.42
H
3,4­
Dichloroaniline
6.3
2.42
H
2,3,4­
Trichloroaniline
1.4
3.17
H
2,4,5­
Trichloroaniline
2.0
3.17
H
2,3,4,5­
Tetrachloroaniline
0.36
3.92
H
____________________________________________________________________________________
____

H
=
Hermans
et
al
(1984)
AMINO
ANILINES,
META
OR
1,3
SUBSTITUTED
9/
1993
71
SAR
ANILINES,
AMINO,
META
OR
1,3­
SUBSTITUTED
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
0.978
­
0.740
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
meta
or
1,3
substituted
amino
anilines.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
no
effects
expected
at
saturation.
duration.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
TSCA
Section
4
database.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
META
SUBSTITUTED
AMINO
ANILINES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
m­
Phenylenediamine
1618
­0.3
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991)
ANILINES,
AMINO,
META
OR
1,3­
SUBSTITUTED
72
SAR
ANILINES,
AMINO,
META
OR
1,3­
SUBSTITUTED
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­1.44
­
0.466
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
meta
or
1,3
substituted
amino
anilines.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
TSCA
Section
4
database.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
META
SUBSTITUTED
AMINO
ANILINES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
m­
Phenylenediamine
5.9
­0.3
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991)
ANILINES,
AMINO,
META
OR
1,3­
SUBSTITUTED
73
ANILINES,
AMINO,
META
OR
1,3­
SUBSTITUTED
74
SAR
ANILINES,
AMINO,
META
OR
1,3­
SUBSTITUTED
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
Equation:
Log
96­
h
EC50
(mM/
L)
=
­1.8
­
0.333
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
6.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
meta
or
1,3
substituted
amino
anilines.

Limitations:
If
the
log
Kow
value
is
greater
than
6.0,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
TSCA
Section
4
database.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
META
SUBSTITUTED
AMINO
ANILINES
USED
TO
DEVELOP
THE
GREEN
ALGAE
96­
h
EC50
SAR.
____________________________________________________________________________________
____
96­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
m­
Phenylenediamine
2.4
­0.3
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991)
ANILINES,
AMINO,
META
OR
1,3­
SUBSTITUTED
9/
1993
75
ANILINES,
AMINO,
META
OR
1,3­
SUBSTITUTED
9/
1993
76
SAR
ANILINES,
AMINO,
META
OR
1,3­
SUBSTITUTED
Organism:
Daphnid
Duration:
16­
d
Endpoint:
Chronic
Value
Equation:
Log
ChV
(mM/
L)
=
­3.29
­
0.301
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
meta
or
1,3
substituted
amino
anilines.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
TSCA
Section
4
database.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
META
SUBSTITUTED
AMINO
ANILINES
USED
TO
DEVELOP
THE
DAPHNID
ChV
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
m­
Phenylenediamine
0.070
­0.3
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991)
ANILINES,
AMINO,
META
OR
1,3­
SUBSTITUTED
9/
1993
77
ANILINES,
AMINO,
ORTHO
OR
1,2­
SUBSTITUTED
9/
1993
78
SAR
ANILINES,
AMINO,
ORTHO
OR
1,2­
SUBSTITUTED
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
­0.547
­
0.522
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
ortho
or
1,2
substituted
amino
anilines.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
TSCA
Section
4
database.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
ORTHO
SUBSTITUTED
AMINO
ANILINES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
o­
Phenylenediamine
44
­0.3
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991)
ANILINES,
AMIN0,
ORTHO
OR
1,2­
SUBSTITUTED
9/
1993
79
ANILINES,
AMINO,
ORTHO
OR
1,2­
SUBSTITUTED
9/
1993
80
SAR
ANILINES,
AMINO,
ORTHO
OR
1,2­
SUBSTITUTED
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­2.21
­
0.356
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
ortho
or
1,2
substituted
amino
anilines.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
TSCA
Section
4
database.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
ORTHO
SUBSTITUTED
AMINO
ANILINES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
o­
Phenylenediamine
0.880
­0.3
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991)
ANILINES,
AMINO,
ORTHO
OR
1,2­
SUBSTITUTED
9/
1993
81
ANILINES,
AMINO,
ORTHO
OR
1,2­
SUBSTITUTED
9/
1993
82
SAR
ANILINES,
AMINO,
ORTHO
OR
1,2­
SUBSTITUTED
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
Equation:
Log
96­
h
EC50
(mM/
L)
=
­2.848
­
0.159
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
6.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
ortho
or
1,2
substituted
amino
anilines.

Limitations:
If
the
log
Kow
value
is
greater
than
6.0,
or
if
the
compound
is
solid
and
the
EC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
TSCA
Section
4
database.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
ORTHO
SUBSTITUTED
AMINO
ANILINES
USED
TO
DEVELOP
THE
GREEN
ALGAE
96­
h
EC50
SAR.
____________________________________________________________________________________
____
96­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
o­
Phenylenediamine
0.160
­0.3
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991)
ANILINES,
AMINO,
ORTHO
OR
1,2­
SUBSTITUTED
9/
1993
83
ANILINES,
AMINO,
PARA
OR
1,4­
SUBSTITUTED
9/
1993
84
SAR
ANILINES,
AMINO,
PARA
OR
1,4­
SUBSTITUTED
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
­3.337
­
0.123
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
para
or
1,4
substituted
amino
anilines.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
TSCA
Section
4
database.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
PARA
SUBSTITUTED
AMINO
ANILINES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
p­
Phenylenediamine
0.060
­0.3
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991)
ANILINES,
AMINO,
PARA
OR
1,4­
SUBSTITUTED
9/
1993
85
ANILINES,
AMINO,
PARA
OR
1,4­
SUBSTITUTED
9/
1993
86
SAR
ANILINES,
AMINO,
PARA
OR
1,4­
SUBSTITUTED
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­2.686
­
0.288
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
para
or
1,4
substituted
amino
anilines.

Limitations:
If
the
log
Kow
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
TSCA
Section
4
database.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
PARA
SUBSTITUTED
AMINO
ANILINES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
p­
Phenylenediamine
0.280
­0.3
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991)
ANILINES,
AMINO,
PARA
OR
1,4­
SUBSTITUTED
9/
1993
87
ANILINES,
AMINO,
PARA
OR
1,4­
SUBSTITUTED
9/
1993
88
SAR
ANILINES,
AMINO,
PARA
OR
1,4­
SUBSTITUTED
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
Equation:
Log
96­
h
EC50
(mM/
L)
=
­2.657
­
0.190
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
6.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
para
or
1,4
substituted
amino
anilines.

Limitations:
If
the
log
Kow
value
is
greater
than
6.0,
or
if
the
compound
is
solid
and
the
EC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
TSCA
Section
4
database.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
PARA
SUBSTITUTED
AMINO
ANILINES
USED
TO
DEVELOP
THE
GREEN
ALGAE
96­
h
EC50
SAR.
____________________________________________________________________________________
____
96­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
p­
Phenylenediamine
0.28
­0.3
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991)
ANILINES,
DINITRO
9/
1993
89
SAR
ANILINES,
DINITRO
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
­0.027
­
0.596
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
dinitroanilines
and
other
polynitroanilines.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Veith
GD
and
Broderius
SJ.
1987.
Structure­
toxicity
relationships
for
industrial
chemicals
causing
type
(II)
narcosis
syndrome.
In:
Kaiser
KLE
(ed.).
QSAR
in
Environmental
Toxicology­
II.
Boston,
MA:
D.
Reidel
Pub.
Co.,
pp.
385­
391.

LIST
OF
DINITROANILINES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
hour
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
2,4­
dinitroaniline
15.5
1.8
VB
____________________________________________________________________________________
____

VB
=
Veith
and
Broderius
(1987)
ANILINES,
DINITRO
9/
1993
90
ANILINES,
DINITRO
9/
1993
91
SAR
ANILINES,
DINITRO
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
log
48­
h
LC50
(mM/
L)
=
­0.296
­
0.558
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
dinitroanilines
and
other
polynitroanilines.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Kuhn
R,
Pattard
M,
Pernak
K­
D,
and
Winter
A.
1989.
Results
of
the
harmful
effects
of
selected
water
pollutants
(anilines,
phenols,
aliphatic
compounds)
to
Daphnia
magna.
Water
Research
23:
495­
499.

LIST
OF
DINITROANILINES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
2,4­
dinitroaniline
9.6
1.8
K
____________________________________________________________________________________
____

Kuhn
=
Kuhn
et
al
(1989)
ANILINES,
DINITRO
9/
1993
92
ANILINES,
DINITRO
9/
1993
93
SAR
ANILINES,
DINITRO
Organism:
Fish
Duration:
32­
d
Endpoint:
Chronic
Value
(Survival/
Growth)

Equation:
Log
ChV
(mM/
L)
=
­0.91
­
0.661
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
dinitroanilines
and
other
polynitroanilines.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Fish
Chronic
Toxicity
Data
Base.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA,
6201
Congdon
Boulevard,
55804;
contact
C.
L.
Russom
(218)
720­
5500.

LIST
OF
DINITROANILINES
USED
TO
DEVELOP
THE
FISH
CHRONIC
(ChV)
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
2,4­
dinitroaniline
1.41
1.8
D
____________________________________________________________________________________
____

D
=
USEPA
(1991)
ANILINES,
DINITRO
9/
1993
94
AZIRIDINES
9/
1993
95
SAR
AZIRIDINES
Organism:
Fish
Duration:
Acute
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
­1.65
­
0.364
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
aziridines.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Juhnke
I
and
Luedemann
D.
1978.
Results
of
the
investigation
of
200
chemical
compounds
for
acute
toxicity
with
the
Golden
Orfe
test.
Z.
F.
Wasser­
Und
Abwasser­
Forschung
11:
161­
164.
Translation
by
SCITRAN
(Scientific
Translation
Service),
Santa
Barbara,
CA
93108.

LIST
OF
AZIRIDINES
USED
TO
DEVELOP
THE
FISH
ACUTE
LC50
SAR.
____________________________________________________________________________________
____
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____

Aziridine
2.4
­1.1
J
____________________________________________________________________________________
____

J
=
Juhnke
and
Luedemann
(1978)
AZIRIDINES
9/
1993
96
AZIRIDINES
9/
1993
97
SAR
AZIRIDINES
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­1.062
­
0.52
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
aziridines.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Bringmann
G
and
Kuhn
R.
1977.
Results
of
the
damaging
effect
of
water
pollutants
on
Daphnia
magna.
Z.
Wasser
Abwasser
Forsch.
10(
5):
161­
166.

LIST
OF
AZIRIDINES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Aziridine
14.0
­1.1
B
____________________________________________________________________________________
____

B
=
Bringmann
and
Kuhn
(1977)
AZIRIDINES
9/
1993
98
AZIRIDINES
9/
1993
99
SAR
AZIRIDINES
Organism:
Green
Algae
Duration:
7­
d
Endpoint:
Chronic
Value
Equation:
Log
ChV
(mM/
L)
=
­2.4
­
0.33
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
aziridines.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Bringmann
G
and
Kuhn
R.
1980.
Comparison
of
the
toxicity
thresholds
of
water
pollutants
to
bacteria,
algae,
and
protozoa
in
the
cell
multiplication
inhibition
test.
Water
Research
14(
3):
231­
241.

LIST
OF
AZIRIDINES
USED
TO
DEVELOP
THE
GREEN
ALGAE
CHV
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Aziridine
0.370
­1.1
B
____________________________________________________________________________________
____

B
=
Bringmann
and
Kuhn
(1980)
AZIRIDINES
9/
1993
100
BENZENES,
DINITRO
9/
1993
101
SAR
BENZENES,
DINITRO
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
­1.867
­
0.333
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
dinitrobenzenes
and
other
polynitrobenzenes.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Veith
GD
and
Broderius
SJ.
1987.
Structure­
toxicity
relationships
for
industrial
chemicals
causing
type
(II)
narcosis
syndrome.
In:
Kaiser
KLE
(ed.).
QSAR
in
Environmental
Toxicology­
II.
Boston,
MA:
D.
Reidel
Pub.
Co.,
pp.
385­
391.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
DINITROBENZENES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
1,3­
dinitrobenzene
0.71
1.5
VB
Chemical
identity
CBI
0.013
3.2
EPA
____________________________________________________________________________________
____

VB
=
Veith
and
Broderius
(1987)
EPA
=
USEPA
(1991);
chemical
identity
is
Confidential
Business
Information
under
TSCA.
BENZENES,
DINITRO
9/
1993
102
BENZENES,
DINITRO
9/
1993
103
SAR
BENZENES,
DINITRO
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­0.325
­
0.634
log
Kow
Statistics:
N
=
3;
R
2
=
0.86
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
dinitrobenzenes
or
other
polynitrobenzenes.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Hermens
J,
Canton
J,
Janssen
P,
and
DeJong
R.
1984.
Quantitative
structure­
activity
relationships
and
toxicity
studies
of
mixtures
of
chemicals
with
anaesthetic
potency:
Acute
lethal
and
sublethal
toxicity
to
Daphnia
magna.
Aquatic
Toxicology
5:
143­
154.

LeBlanc.
1980.
Acute
toxicity
of
priority
pollutants
to
water
flea
(Daphnia
magna).
Bulletin
of
Environmental
Contamination
and
Toxicology.
24:
684­
691.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
DINITROBENZENES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
1,3­
dinitrobenzene
43.0
1.6
H
2,3­
dinitrotoluene
0.66
2.0
LB
Chemical
identity
CBI
0.012
3.2
EPA
____________________________________________________________________________________
____

LB
=
LeBlanc
(1987)
BENZENES,
DINITRO
9/
1993
104
H
=
Hermens
et
al
(1984)
EPA
=
USEPA
(1991);
chemical
identities
are
Confidential
Business
Information
under
TSCA.
BENZENES,
DINITRO
9/
1993
105
SAR
BENZENES,
DINITRO
Organism:
Fish
Duration:
32­
d
Endpoint:
Chronic
Value
(Survival/
Growth)

Equation:
Log
ChV
(mM/
L)
=
­3.0
­
0.40
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
dinitrobenzenes
or
other
polynitrobenzenes.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
is
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
are
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Fish
Chronic
Toxicity
Data
Base.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA,
6201
Congdon
Boulevard,
55804;
contact
C.
L.
Russom
(218)
720­
5500.

LIST
OF
DINITROBENZENES
USED
TO
DEVELOP
THE
FISH
CHRONIC
VALUE
(ChV)
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
1,3­
dichloro­
4,6­
dinitro
benzene
0.023
2.5
D
____________________________________________________________________________________
____

D
=
USEPA
(1991)
BENZENES,
DINITRO
9/
1993
106
BENZENES,
DINITRO
9/
1993
107
SAR
BENZENES,
DINITRO
Organism:
Daphnid
Duration:
16­
d
Endpoint:
Chronic
Value
(Survival/
Reproduction)

Equation:
Log
ChV
(mM/
L)
=
­0.7
­
0.625
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
dinitrobenzenes
or
other
polynitrobenzenes.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
is
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
are
expected
at
saturation.

References:
Hermens
J,
Canton
H,
Janssen
P,
and
DeJong
R.
1984.
Quantitative
structure­
activity
relationships
and
toxicity
studies
of
mixtures
of
chemicals
with
anaesthetic
potency:
Acute
lethal
and
sublethal
toxicity
to
Daphnia
magna.
Aquatic
Toxicology
5:
143­
154.

LIST
OF
DINITROBENZENES
USED
TO
DEVELOP
THE
DAPHNID
CHRONIC
VALUE
(ChV)
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
1,3­
dinitrotoluene
3.2
1.6
H
____________________________________________________________________________________
____

H
=
Hermens
et
al
(1984)
BENZENES,
DINITRO
9/
1993
108
BENZOTRIAZOLES
7/
1988
109
SAR
BENZOTRIZOLES
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
0.366
­
0.587
log
Kow
Statistics:
N
=
2;
R
2
=
1.00
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
substituted
benzotriazoles
with
substitution
on
the
5th
position.
Toxicity
estimates
for
substituted
benzotriazoles
with
substitutions
on
the
triazole
ring
may
not
be
valid
with
this
SAR.

This
SAR
may
be
used
for
substituted
benzotriazoles
with
substitutions
on
the
3rd,
4th
or
6th
positions
(other
benzo
positions).

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Nabholz
JV.
1987.
Generic
review
of
various
benzotriazoles.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.

LIST
OF
BENZOTRIAZOLES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Benzotriazole
39.0
1.45
N
5­
Butylbenzotriazole
2.8
3.68
N
____________________________________________________________________________________
____

N
=
Nabholz
(1987).
BENZOTRIAZOLES
7/
1988
110
BENZOTRIAZOLES
7/
1988
111
SAR
BENZOTRIAZOLES
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
To
determine
the
acute
toxicity
of
benzotriazoles
to
daphnids
use
the
neutral
organic
daphnid
48­
h
LC50
SAR.

Statistics:

Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
The
neutral
organic
SAR
may
be
used
to
estimate
the
toxicity
of
substituted
benzotriazoles
with
substitution
on
the
5th
position,
log
Kow
values
of
less
than
5.0,
and
molecular
weights
less
than
1000.
Toxicity
estimates
for
substituted
benzotriazoles
with
substitutions
on
the
triazole
ring
may
not
be
valid
with
this
SAR.

This
SAR
may
be
used
for
substituted
benzotriazoles
with
substitutions
on
the
3rd,
4th
or
6th
positions
(other
benzo
positions).

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Nabholz
JV.
1987.
Generic
review
of
various
benzotriazoles.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.

LIST
OF
BENZOTRIAZOLES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Benzotriazole
141.6
1.45
N
5­
Butylbenzotriazole
10.7
3.68
N
____________________________________________________________________________________
____

N
=
Nabholz
(1987).
BENZOTRIAZOLES
7/
1988
112
BENZOTRIAZOLES
7/
1988
113
SAR
BENZOTRIAZOLES
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
and
EC10
(Growth)

Equation:
Log
EC50
(mM/
L)
=
0.061
­
0.573
log
Kow
The
96­
h
EC10
may
be
determined
by:

EC10
=
EC50/
8
Statistics:
N
=
2;
R
2
=
1.00
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
substituted
benzotriazoles
with
substitution
on
the
5th
position.
Toxicity
estimates
for
substituted
benzotriazoles
with
substitutions
on
the
triazole
ring
may
not
be
valid
with
this
SAR.

This
SAR
may
be
used
for
substituted
benzotriazoles
with
substitutions
on
the
3rd,
4th
or
6th
positions
(other
benzo
positions).

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
EC50
or
EC10
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Nabholz
JV.
1987.
Generic
review
of
various
benzotriazoles.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.

LIST
OF
BENZOTRIAZOLES
USED
TO
DEVELOP
THE
GREEN
ALGAE
96­
h
EC50
AND
EC10
SARs.
____________________________________________________________________________________
____
EC50
EC10
Log
Ref.
CHEMICAL
(mg/
L)
(mg/
L)
Kow
____________________________________________________________________________________
____
Benzotriazole
15.4
1.75
1.45
N
5­
Butylbenzotriazole
1.18
0.16
3.68
N
____________________________________________________________________________________
____

N
=
Nabholz
(1987)
BENZOTRIAZOLES
7/
1988
114
BENZOTRIAZOLES
7/
1988
115
CARBAMATES
7/
1988
116
SAR
CARBAMATES
Organism:
Sea
Urchin
Duration:
48­
h
Endpoint:
NEC
(Early
Development)

Equation:
Log
NEC
(mM/
L)
=
0.51
­
0.72
log
Kow
Statistics:
N
=
35;
R
2
=
0.62
Maximum
log
Kow
:
4.5
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
carbamates
and
the
following
classes
of
carbamates:

1.
Alkyl
esters
of
carbamic
acid
2.
N­
alkyl
or
aryl
substitutes
on
ethyl
carbamate
3.
Bis(
ethylcarbamates)
joined
at
­NRN­
by
alkyl
or
aryl
groups
4.
Bis­
and
tris­
carbamates
esterified
on
a
single
phenyl
ring
5.
Thiocarbamates
This
SAR
may
be
used
for
other
similar
substituted
carbamates
with
log
Kow
values
less
than
4.5
and
molecular
weights
less
than
1000.

Limitations:
The
following
classes
of
carbamates
are
more
toxic
than
predicted
by
this
SAR:

1.
Meta­
phenylene
bis(
ethyl
carbamates)
­
200
X
2.
N­
methyl­
ortho
phenyl
biscarbamates
­
1000
X
3.
N­
methyl­
para
phenyl
biscarbamates
­
400
X
4.
N,
N­
dimethyl­
1,2,3­
phenyl
triscarbamates
­
400
X
If
the
log
Kow
value
is
greater
than
4.5,
or
if
the
compound
is
solid
and
the
NEC
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Cornman
I.
1950.
Inhibition
of
sea­
urchin
egg
cleavage
by
a
series
of
substituted
carbamates.
Journal
of
the
National
Cancer
Institute
50:
1123­
1138.
CARBAMATES
7/
1988
117
LIST
OF
CARBAMATES
USED
TO
DEVELOP
THE
SEA
URCHIN
48­
h
NEC
SAR.
____________________________________________________________________________________
____
48­
h
NEC
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
CARBAMATES
USED
FOR
THIS
SAR
Methyl
carbamate
2000.0
­0.70
C
Ethyl
carbamate
999.0
­0.18
C
1,2­
Hydrazine
di(
ethylcarboxylate)
2000.0
­0.11
C
1,2­
Hydrazine
di(
ethylcarboxylate)
1000.0
­0.11
C
N­
methyl­
ethylcarbamate
10.3
0.37
C
N,
N­
dimethyl­
ethylcarbamate
994.0
0.42
C
Propylene
bis(
ethylcarbamate)
998.0
0.58
C
1,4­
Phenylene
bis(
N,
N­
dimethyl
carbamate
501.0
0.88
C
1,4­
Phenylene
bis(
N,
N­
dimethyl
carbamate
101.0
0.88
C
N­
ethyl­
ethylcarbamate
99.0
0.90
C
Ethylidene
bis(
ethylcarbamate)
100.0
0.97
C
Ethylene
bis(
ethylcarbamate)
100.0
0.98
C
Tetramethylene
bis(
ethylcarbamate)
998.0
0.58
C
N­
isopropyl­
ethylcarbamate
9.2
1.21
C
3­
Methylbutyl
carbamate
10.5
1.28
C
Cyclohexyl
carbamate
1.43
1.33
C
N,
N­
propyl­
ethylcarbamate
97.0
1.43
C
N,
N­
diethyl­
ethylcarbamate
95.7
1.48
C
N,
N­
cyclopentamethylene
ethylcarbamate
39.1
1.61
C
N,
N­
diethyl
ethylcarbamodithioate
<41.0
1.68
C
N,
N­
butyl­
ethylcarbamate
8.7
1.96
C
1,3­
Phenylene
bis(
N,
N­
dimethyl
carbamate
<39.0
2.09
C
N,
N­
di­
isopropyl­
ethylcarbamate
92.0
2.09
C
N­
ethyl
ethylcarbamothioate
<39.0
2.09
C
Para­
xylylene
bis(
ethylcarbamate)
19.6
2.14
C
Hexamethylene
bis(
ethylcarbamate)
502.0
2.16
C
Hexamethylene
bis(
ethylcarbamate)
99.0
2.16
C
N­
phenyl­
ethylcarbamate
1.0
2.29
C
N­
cyclohexyl­
ethylcarbamate
1.7
2.40
C
Ortho­
phenylene
bis
(ethylcarbamate)
20.2
2.44
C
N,
N­
di­
n­
propyl­
ethylcarbamate
9.4
2.53
C
N,
N­
di­
n­
butyl­
ethylcarbamate
10.0
3.59
C
N,
N­
diphenyl­
ethylcarbamate
9.6
NC
C
N­
decyl
carbamate
1.0
4.06
C
N­
n­
octyl­
ethylcarbamate
1.0
4.07
C
N­
2­
fluorene­
ethylcarbamate
<0.10
4.34
C
2,7­
fluorene­
bis(
ethylcarbamate)
*
4.52
C
CARBAMATES
7/
1988
118
____________________________________________________________________________________
____

CONTINUED.
____________________________________________________________________________________
____
48­
h
NEC
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
CARBAMATES
USED
FOR
THIS
SAR
n­
Dodecyl
carbamate
*
5.12
C
N­
n­
decyl­
ethylcarbamate
*
5.13
C
CARBAMATES
WITH
EXCESSIVE
TOXICITY
1,2­
Phenylene
bis(
N­
methyl
carbamate
0.9
­0.11
C
1,3­
Phenylene
bis(
N­
methyl
carbamate
0.9
­0.11
C
1,4­
Phenylene
bis(
n­
methyl
carbamate
0.9
0.45
C
1,2,3­
Phenylene
tris(
N,
N­
dimethyl
carbamate
10.2
2.44
C
____________________________________________________________________________________
____

*
No
effects
in
a
saturated
solution.

C
=
Cornman
(1950)
CARBAMATES,
DITHIO
9/
1993
119
CARBAMATES,
DITHIO
9/
1993
120
SAR
CARBAMATES,
DIOTHIO
Includes
N,
N­
dialkyldithiocarbamates
and
ethylenebisdithiocarbamates
and
their
metal
salts
which
include
but
are
not
limited
to
Zn,
Na,
Fe,
Mn,
Cu,
Pb,
Hg,
Ag,
and
Se.
The
SARs
for
the
dithiocarbamates
and
their
degradation
products
are
sigmoidal
with
acute
and
chronic
toxicity
increasing
with
increasing
Kow.
The
sigmoidal
relationship
between
Kow
and
toxicity
is
very
poor
statistically.
Consequently,
toxicity
predictions
must
be
made
using
either
the
closest
analog
or
averaging
data
for
the
two
closest
analogs
which
bracket
the
dithiocarbamate
under
question.
CARBAMATES,
DITHIO
9/
1993
121
CROWN
ETHERS
9/
1993
122
SAR
CROWN
ETHERS
Use
SAR
for
NEUTRAL
ORGANICS
for
fish
and
daphnids;
some
should
show
excess
toxicity
toward
green
algae
due
to
over
chelation
of
nutrient
elements;
each
crown
ether
chelates
a
different
element;
the
type
of
element
chelated
by
a
crown
ether
has
to
be
matched
up
with
a
nutrient
element
needed
by
algae,
e.
g,
Fe,
Ca,
Mg.
There
are
no
test
data
to
show
that
crown
ethers
do
in
fact
overchelate
nutrient
elements
in
the
algal
toxicity
test.
Conclusions
about
crown
ethers
are
based
on
extrapolations
of
theory.
CROWN
ETHERS
9/
1993
123
DIAZONIUMS,
AROMATIC
9/
1993
124
SAR
DIAZONIUMS,
AROMATIC
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
­2.456
­
0.331
log
Kow
Statistics:
N
=
3;
R
2
=
0.98
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
aromatic
diazoniums.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
TSCA
8(
e)
database.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
AROMATIC
DIAZONIUMS
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
4­
Dimethylamino
benzene
diazonium
0.150
2.1
EPA
4­
Dimethylamino
benzene
diazonium
0.330
2.1
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991).
DIAZONIUMS,
AROMATIC
9/
1993
125
EPOXIDES,
MONO
9/
1993
126
SAR
EPOXIDES,
MONO
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
­0.290
­
0.382
log
Kow
Statistics:
N
=
4;
R
2
=
0.92
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
monoepoxides.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

Monoepoxides
which
are
significantly
more
toxic
than
predicted
by
this
SAR,
based
on
the
fish
14­
d
LC50
SAR,
are:

epichlorohydrin,
and
epibromohydrin.

Endrin
has
an
excess
toxicity
of
over
33,000
times
the
value
predicted
by
this
SAR.
Diepoxides
are
significantly
more
toxic
than
predicted
by
this
SAR
and
a
SAR
for
diepoxides
has
been
developed.

References:
Bridie
AL,
Wolff
CJM,
and
Winter
M.
1979.
The
acute
toxicity
of
some
petrochemicals
to
goldfish.
Water
Research,
13:
623­
626.

Conway
RA,
Waggy
GT,
Speigel
MH,
and
Berglund
RL.
1983.
Environmental
fate
and
effects
of
ethylene
oxide.
Environmental
Science
and
Technology
17:
107­
112.

Leach
JM
and
Thakore
AN.
1975.
Isolation
and
identification
of
constituents
toxic
to
juvenile
rainbow
trout
(Salmo
gairdneri)
in
caustic
extraction
effluents
from
kraft
pulpmill
bleach
plants.
Journal
of
the
Fisheries
Research
Board
of
Canada,
32:
1249.

United
States
Environmental
Protection
Agency
(USEPA).
1986.
Water
Quality
Criteria
for
1986.
Washington,
DC:
USEPA.
EPOXIDES,
MONO
9/
1993
127
LIST
OF
MONOEPOXIDES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
MONOEPOXIDES
USED
IN
CALCULATION
OF
THE
SAR
Ethylene
oxide
84.0
­0.8
C
Allyl
glycidyl
ether
30.0
­0.33
B
Phenyl
glycidyl
ether
43.0
1.12
B
9,10­
Epoxystearic
acid
1.5
5.14
LT
MONOEPOXIDES
HAVING
EXCESS
TOXICITY
Endrin
0.000410
2.9
W
____________________________________________________________________________________
____

B
=
Bridie
et
al.
(1979)
C
=
Conway
et
al
(1983)
LT
=
Leach
and
Thakore
(1975)
W
=
USEPA
(1986);
water
quality
criteria
document
EPOXIDES,
MONO
9/
1993
128
SAR
EPOXIDES,
MONO
Organism:
Fish
Duration:
14­
d
Endpoint:
LC50
(Mortality)

Equation:
Log
14­
d
LC50
(mM/
L)
=
­0.49506
­
0.34618
log
Kow
Statistics:
N
=
9;
R
2
=
0.87
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
monoepoxides.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

Monoepoxides
which
are
significantly
more
toxic
than
predicted
by
this
SAR
are:

epichlorohydrin,
53
X
excess
toxicity;
and
epibromohydrin,
57
X
excess
toxicity.

Diepoxides
are
significantly
more
toxic
than
predicted
by
this
SAR
and
a
SAR
for
diepoxides
has
been
developed.

References:
Deneer
JW,
Sinnige
TL,
Seinen
W,
and
Hermens
JLM.
1988.
A
quantitative
structure­
activity
relationship
for
the
acute
toxicity
of
some
epoxy
compounds
to
the
guppy.
Aquatic
Toxicology
13:
195­
204.
EPOXIDES,
MONO
9/
1993
129
LIST
OF
MONOEPOXIDES
USED
TO
DEVELOP
THE
FISH
14­
d
LC50
SAR.________________________________________________________________________________
________
14­
d
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
MONOEPOXIDES
USED
IN
CALCULATION
OF
THE
SAR
Glycidol
50.0
­1.46
D
Propylene
oxide
31.9
­0.27
D
1,2­
Epoxybutane
32.9
0.26
D
Styrene
oxide
7.07
0.73
D
1,2­
Epoxyhexane
18.6
1.31
D
1,2­
Epoxyoctane
10.4
2.37
D
1,2­
Epoxydecane
3.26
3.43
D
1,2­
Epoxydodecane
1.11
4.49
D
1,2­
Epoxyhexadecane
*
6.60
D
MONOEPOXIDES
HAVING
EXCESS
TOXICITY
Epichlorohydrin
0.651
­0.21
D
Epibromohydrin
0.807
­0.07
D
____________________________________________________________________________________
____

*
No
fish
mortality
in
saturated
solutions.

D
=
Deneer
et
al
(1988)
EPOXIDES,
MONO
9/
1993
130
SAR
EPOXIDES,
MONO
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
0.036
­
0.567
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
monoepoxides.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Conway
RA,
Waggy
GT,
Speigel
MH,
and
Berglund
RL.
1983.
Environmental
fate
and
effects
of
ethylene
oxide.
Environmental
Science
and
Technology
17:
107­
112.

LIST
OF
MONOEPOXIDES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Ethylene
oxide
137.0
­0.8
C
____________________________________________________________________________________
____

C
=
Conway
et
al.
(1983)
EPOXIDES,
MONO
9/
1993
131
EPOXIDES,
DI
9/
1993
132
SAR
EPOXIDES,
DI
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
­1.184
­
0.263
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
diepoxides
and
other
polyepoxides.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Bailey
RE
and
Rhinehart
WL.
1976.
Evaluation
of
D.
E.
R.
331,
diglycidyl
ether
of
bisphenol­
A,
in
the
aquatic
environment.
R&
D
Report
D0004653.
Midland,
MI:
The
Dow
Chemical
Company.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

LIST
OF
DIEPOXIDES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Diglycidyl
ether
of
bisphenol
A
3.1
3.1
B
Chemical
identity
CBI
*
7.1
EPA
____________________________________________________________________________________
____

*
No
fish
mortality
in
saturated
solutions.

B
=
Bailey
and
Rhinehart
(1976)
EPA
=
USEPA
(1991);
chemical
identity
is
Confidential
Business
Information
under
TSCA.
EPOXIDES,
DI
9/
1993
133
EPOXIDES,
DI
9/
1993
134
SAR
EPOXIDES,
DI
Organism:
Fish
Duration:
14­
d
Endpoint:
LC50
(Mortality)

Equation:
Log
14­
d
LC50
(mM/
L)
=
­1.5692
­
0.1216
log
Kow
Statistics:
N
=
3;
R
2
=
0.83
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
diepoxides
and
other
polyepoxides.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Deneer
JW,
Sinnige
TL,
Seinen
W
and
Hermens
JLM.
1988.
A
quantitative
structure­
activity
relationship
for
the
acute
toxicity
of
some
epoxy
compounds
to
the
guppy.
Aquatic
Toxicology
13:
195­
204.

LIST
OF
DIEPOXIDES
USED
TO
DEVELOP
THE
FISH
14­
d
LC50
SAR.
____________________________________________________________________________________
____
14­
d
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
1,3­
Butadiene
diepoxide
2.66
­1.84
D
1,2,7,8­
Diepoxyoctane
6.64
­0.18
D
____________________________________________________________________________________
____

D=
Deneer
et
al
(1988)
EPOXIDES,
DI
9/
1993
135
EPOXIDES,
DI
9/
1993
136
SAR
EPOXIDES,
DI
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­2.093
­
0.1474
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
diepoxides
and
other
polyepoxides.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Bailey
RE
and
Rhinehart
WL.
1976.
Evaluation
of
D.
E.
R.
331,
diglycidyl
ether
of
bisphenol­
A,
in
the
aquatic
environment.
R&
D
Report
D0004653.
Midland,
MI:
The
Dow
Chemical
Company.

LIST
OF
DIEPOXIDES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Diglycidyl
ether
of
bisphenol
A
0.95
3.1
B
____________________________________________________________________________________
____

B
=
Bailey
and
Rhinehart
(1976)
EPOXIDES,
DI
9/
1993
137
ESTERS
9/
1993
138
SAR
ESTERS
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
­0.535
log
Kow
+
0.25
Statistics:
N
=
29;
R
2
=
0.828
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
the
following
esters:

1.
Acetates
2.
Benzoates
3.
Dicarboxylic
aliphatics
4.
Phthalates
derived
from
aliphatic
alcohols
and
phenol.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Veith
GD,
DeFoe
D,
and
Knuth
M.
1984.
Structure­
activity
relationships
for
screening
organic
chemicals
for
potential
ecotoxicity
effects.
Drug
Metabolism
Reviews
15(
7):
1295­
1303.
ESTERS
9/
1993
139
LIST
OF
ESTERS
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Methylene
chloride
322.895
1.25
Z
Methyl
acetate
320.0
0.18
V
Ethyl
acetate
230.0
0.69
V
2­
Ethoxyethyl
acetate
42.2
0.71
V
Diethyl
malonate
14.9
1.19
V
Ethyl­
p­
aminobenzoate
35.2
1.22
V
Propyl
acetate
60.0
1.25
V
Methyl­
2,4­
dihydroxybenzoate
38.5
1.59
V
Butyl
acetate
18.0
1.79
V
Diethyl
adipate
19.3
1.80
V
Methyl­
p­
nitrobenzoate
23.6
2.10
V
Dimethyl­
2­
nitro­
p­
phthalate
6.52
2.28
V
Methyl­
4­
chloro­
2­
nitrobenzoate
27.2
2.35
V
Dimethyl­
2­
amino­
p­
phthalate
8.94
2.65
V
Diethyl­
o­
phthalate
30.0
2.69
V
Hexyl
acetate
4.40
2.87
V
Ethyl
hexanoate
8.90
2.87
V
Methyl­
p­
chlorobenzoate
10.9
3.15
V
Methyl­
2,5­
dichlorobenzoate
13.8
3.45
V
Ethyl
salicylate
19.6
3.45
V
Dibutyl
succinate
4.45
3.65
V
Dibutyl
adipate
3.66
3.96
V
Diethyl
sebacate
2.75
3.96
V
Di­
n­
butyl­
o­
phthalate
1.10
4.74
V
Di­
n­
butyl­
m­
phthalate
0.90
5.07
V
Diphenyl­
1­
phthalate
0.80
7.06
V
Di­
2­
ethylhexyl­
o­
phthalate
*
7.06
V
Di­
n­
octyl­
o­
phthalate
*
7.06
V
Di­
n­
octyl­
m­
phthalate
*
7.06
V
Di­
n­
octyl­
p­
phthalate
*
7.06
V
____________________________________________________________________________________
____

*
=
No
fish
mortality
in
saturated
solutions.

V
=
Veith
et
al
(1984)
ESTERS
7/
1988
140
SAR
ESTERS
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
To
find
the
estimated
acute
toxicity
of
an
ester,
use
the
neutral
organics
daphnid
48­
h
LC50
SAR.

Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
The
daphnid
48­
h
LC50
SAR
for
neutral
organics
may
be
used
to
estimate
acute
toxicity
for
esters.
The
neutral
organic
48­
h
LC50
SAR
for
daphnids
may
be
used
for
other
esters;
however,
a
separate
SAR
has
been
developed
for
phthalate
esters.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Kuhn
R,
Pattard
M,
Pernack
K­
D,
and
Winter
A.
1989.
Results
of
the
harmful
effects
of
selected
water
pollutants
(anilines,
phenols,
aliphatic
compounds)
to
Daphnia
magna.
Water
Research
23:
495­
499.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.

LIST
OF
ESTERS
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Methylene
chloride
322.895
1.25
Z
Chloroacetic
ethyl
ester
1.6
?
K
Chemical
identity
CBI
3.32
3.7
EPA
Chemical
identity
CBI
*
4.4
EPA
____________________________________________________________________________________
____

*
=
No
daphnid
mortality
in
saturated
solutions.

EPA
=
USEPA
(1991);
chemical
identities
are
Confidential
Business
Information
under
TSCA.
K
=
Kuhn
et
al
(1989)
ESTERS
7/
1988
141
ESTERS
7/
1988
142
ESTERS
7/
1988
143
SAR
ESTERS
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
(Growth)

Equation:
Log
EC50
(mM/
L)
=
­0.881
­
0.519
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
6.4
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
esters.

Limitations:
If
the
log
Kow
value
is
greater
than
6.4,
or
if
the
compound
is
solid
and
the
EC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.

LIST
OF
ESTERS
USED
TO
DEVELOP
THE
GREEN
ALGAE
96­
h
EC50
SAR.
____________________________________________________________________________________
____
96­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Chemical
identity
CBI
0.410
3.7
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991);
chemical
identities
are
Confidential
Business
Information
under
TSCA.
ESTERS
7/
1988
144
ESTERS
7/
1988
145
SAR
ESTERS
Organism:
Green
Algae
Duration:
16­
d
Endpoint:
Chronic
Value
(Growth)

Equation:
Log
ChV
(mM/
L)
=
­1.01
­
0.51
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
esters.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.

LIST
OF
ESTERS
USED
TO
DEVELOP
THE
GREEN
ALGAE
CHRONIC
VALUE
(ChV)
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Chemical
identity
CBI
0.390
3.7
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991);
chemical
identities
are
Confidential
Business
Information
under
TSCA.
ESTERS
7/
1988
146
ESTERS,
MONO,
ALIPHATIC
9/
1993
147
SAR
ESTERS,
MONO
Organism:
Fish
Duration:
32­
d
Endpoint:
Chronic
Value
(Survival/
Growth)

Equation:
Log
ChV
(mM/
L)
=
0.421
­
0.828
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
aliphatic
monoesters.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Fish
Chronic
Toxicity
Data
Base.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA,
6201
Congdon
Boulevard,
55804;
contact
C.
L.
Russom
(218)
720­
5500.

LIST
OF
ALIPHATIC
MONOESTERS
USED
TO
DEVELOP
THE
FISH
CHRONIC
VALUE
(ChV)
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Methyl
acetate
133.0
0.2
D
____________________________________________________________________________________
____

D
=
USEPA
(1991)
ESTERS,
MONO,
ALIPHATIC
9/
1993
148
ESTERS,
DI,
ALIPHATIC
9/
1993
149
SAR
ESTERS,
DI
Organism:
Fish
Duration:
32­
d
Endpoint:
Chronic
Value
(Survival/
Growth)

Equation:
Log
ChV
(mM/
L)
=
­1.677
­
0.565
log
Kow
Statistics:
N
=
3;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
aliphatic
diesters.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Fish
Chronic
Toxicity
Data
Base.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA,
6201
Congdon
Boulevard,
55804;
contact
C.
L.
Russom
(218)
720­
5500.

LIST
OF
ALIPHATIC
DIESTERS
USED
TO
DEVELOP
THE
FISH
CHRONIC
VALUE
(ChV)
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Diethyl
malonate
0.759
1.1
D
Dibutyl
fumerate
0.030
3.9
D
____________________________________________________________________________________
____

D
=
USEPA
(1991)
ESTERS,
DI,
ALIPHATIC
9/
1993
150
ESTERS,
PHOSPHATE
9/
1993
151
SAR
ESTERS,
PHOSPHATE
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
­0.0695
­
0.5178
log
Kow
Statistics:
N
=
16;
R
2
=
0.595
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
phosphate
esters
and
other
tri­
alkyl­
phenyl
phosphate
esters.
This
SAR
may
be
used
to
estimate
toxicity
for
the
following
classes
of
phosphate
esters
all
of
which
are
weak
acetylcholinesterase
inhibitors:

1.
Tri­
alkyl
phosphate
esters
2.
Tri­
phenyl
phosphate
esters
3.
Halogenated
tri­
alkyl
phosphate
esters
4.
Halogenated
tri­
phenyl
phosphate
esters
Some
halogenated
tri­
alkylphosphate
esters
are
significantly
more
toxic
than
predicted
by
this
SAR
as
a
result
of
their
strong
acetylcholinesterase
and
cholinesterase
inhibition.
These
include:

1.
1,2­
dibromoethyldiethyl
phosphate
ester
­
400
X
2.
1,2­
dichloroethyldiethyl
phosphate
ester
­
.30
X
Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.
ESTERS,
PHOSPHATE
9/
1993
152
LIST
OF
PHOSPHATE
ESTERS
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Tris(
betachloroethyl)
210.0
0.92
EPA
Tris(
betachloroethyl)
90.0
0.92
EPA
Chemical
identity
CBI
21.0
1.80
EPA
Tris(
dichloropropyl)
3.6
2.67
EPA
Tris(
dichloropropyl)
5.1
2.67
EPA
Tris(
2,3­
dibromopropyl)
1.33
3.51
EPA
Tris(
2,3­
dibromopropyl)
1.45
3.51
EPA
Tributyl
11.0
3.53
EPA
Tributyl
8.18
3.53
EPA
Tributyl
8.8
3.53
EPA
Tributyl
9.6
3.53
EPA
Tributyl
11.8
3.53
EPA
Tributyl
11.4
3.53
EPA
Triphenyl
0.87
4.63
EPA
Triphenyl
0.70
4.63
EPA
Triphenyl
1.2
4.63
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991)
ESTERS,
PHTHALATE
9/
1993
153
SAR
ESTERS,
PHTHALATE
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Use
the
ester
fish
96­
h
SAR
to
determine
the
acute
toxicity
of
a
phthalate
ester.

Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
The
ester
SAR
may
be
used
to
estimate
the
toxicity
of
phthalate
esters.
The
ester
SAR
is
applicable
for
the
following
phthalate
esters:

1.
Aliphatic
diesters
2.
Aromatic
diesters
3.
Aliphatic­
aromatic
diesters
4.
Phthalates,
derived
from
aliphatic
alcohols
and
phenol.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturationse
SAR
with
longer
exposure.

References:
Veith
GD,
DeFoe
D,
and
Knuth
M.
1984.
Structure­
activity
relationships
for
screening
organic
chemicals
for
potential
ecotoxicity
effects.
Drug
Metabolism
Reviews
15(
7):
1295­
1303.

LIST
OF
PHTHALATE
ESTERS
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Dimethyl­
2­
nitro­
p­
phthalate
6.52
2.28
V
Dimethyl­
2­
amino­
p­
phthalate
8.94
2.65
V
Diethyl­
o­
phthalate
30.0
2.69
V
Di­
n­
butyl­
o­
phthalate
1.10
4.74
V
Di­
n­
butyl­
m­
phthalate
0.90
4.74
V
Diphenyl­
i­
phthalate
0.80
5.07
V
Di­
2­
ethylhexyl­
o­
phthalate
*
7.06
V
Di­
n­
octyl­
o­
phthalate
*
7.06
V
Di­
n­
octyl­
m­
phthalate
*
7.06
V
Di­
n­
octyl­
p­
phthalate
*
7.06
V
ESTERS,
PHTHALATE
9/
1993
154
____________________________________________________________________________________
____

*
No
fish
mortality
in
saturated
solutions.

V
=
Veith
et
al
(1984).
ESTERS,
PHTHALATE
9/
1993
155
SAR
ESTERS,
PHTHALATE
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Use
the
neutral
organic
daphnid
48­
h
SAR
to
determine
the
acute
toxicity
of
a
phthalate
ester.

Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
The
neutral
organic
SAR
may
be
used
to
estimate
the
toxicity
of
phthalate
esters.
The
neutral
organic
SAR
is
applicable
for
the
following
phthalate
esters:

1.
Aliphatic
diesters
2.
Aromatic
diesters
3.
Aliphatic­
aromatic
diesters
4.
Phthalates,
derived
from
aliphatic
alcohols
and
phenol.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
Nabholz
JV.
1987.
The
acute
and
chronic
toxicity
of
dialkyl
phthalate
esters
to
daphnids.
Interagency
memorandum
to
"Whom
It
May
Concern."
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.
ESTERS,
PHTHALATE
9/
1993
156
LIST
OF
PHTHALATE
ESTERS
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Methylene
chloride
322.895
1.25
Z
Dimethyl
>52.0
1.52
N
Diethyl
90.0
2.57
N
Di­
n­
butyl­
ortho
3.4
4.69
N
Di­
n­
butyl­
ortho
5.2
4.69
N
Butyl­
benzyl
1.83
4.87
N
Butyl­
benzyl
3.7
4.87
N
Butyl­
benzyl
1.6
4.87
N
Butyl­
benzyl
1.0
4.87
N
Butyl­
benzyl
2.4
4.87
N
Butyl­
benzyl
1.7
4.87
N
Dihexyl
*
6.80
N
Butyl­
2­
ethylhexyl
*
7.93
N
Di­(
n­
hexyl,
n­
octyl,
n­
decyl)
*
8.57
N
Di­(
2­
ethylhexyl)
*
8.66
N
Di­(
2­
ethylhexyl)
*
8.66
N
Diisooctyl
*
8.66
N
Di­(
n­
octyl)
*
8.92
N
Di­(
heptyl,
nonyl,
undecyl)
*
9.59
N
Diisononyl
*
9.72
N
Diisodecyl
*
10.78
N
Diisodecyl
*
10.78
N
Diundecyl
*
12.10
N
Ditridecyl
*
14.21
N
____________________________________________________________________________________
____

*
No
daphnid
mortality
in
saturated
solutions.

N
=
Nabholz
(1987).
ESTERS,
PHTHALATE
9/
1993
157
SAR
ESTERS,
PHTHALATE
Organism:
Daphnid
Duration:
21­
d
Endpoint:
No
Effect
Concentration
(NEC)
(Reproduction)

Equation:
Log
21­
d
NEC
(mM/
L)
=
0.05
­
0.72
log
Kow
Statistics:
;

Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
The
neutral
organic
16­
d
NEC
SAR
may
be
used
to
estimate
the
toxicity
of
phthalate
esters.
The
neutral
organic
SAR
is
applicable
for
the
following
phthalate
esters:

1.
Aliphatic
diesters
2.
Aromatic
diesters
3.
Aliphatic­
aromatic
diesters
4.
Phthalates,
derived
from
aliphatic
alcohols
and
phenol.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
NEC
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Nabholz
JV.
1987.
The
acute
and
chronic
toxicity
of
dialkyl
phthalate
esters
to
daphnids.
Interagency
memorandum
to
"Whom
It
May
Concern."
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.
ESTERS,
PHTHALATE
9/
1993
158
LIST
OF
PHTHALATE
ESTERS
USED
TO
DEVELOP
THE
DAPHNID
21­
d
NEC
SAR.
____________________________________________________________________________________
____
21­
d
NEC
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Methylene
chloride
322.895
1.25
Z
Dimethyl
15.0
1.52
N
Diethyl
38.0
2.57
N
Di­
n­
butyl­
ortho
1.0
4.69
N
Di­
n­
butyl­
ortho
1.4
4.69
N
Di­
n­
butyl­
ortho
1.5
4.69
N
Butyl­
benzyl
0.63
4.87
N
Butyl­
benzyl
0.44
4.87
N
Di­
n­
butyl­
iso
0.15
5.53
N
Di­
n­
butyl­
tere
0.32
5.53
N
Dihexyl
*
6.80
N
Butyl­
2­
ethylhexyl
*
7.93
N
Di­(
n­
hexyl,
n­
octyl,
n­
decyl)
*
8.57
N
Di­(
2­
ethylhexyl)
*
8.66
N
Di­(
2­
ethylhexyl)
*
8.66
N
Diisooctyl
*
8.66
N
Di­(
n­
octyl)
*
8.92
N
Di­(
heptyl,
nonyl,
undecyl)
*
9.59
N
Diisononyl
*
9.72
N
Diisodecyl
*
10.78
N
Diisodecyl
*
10.78
N
Diundecyl
*
12.10
N
Ditridecyl
*
14.21
N
____________________________________________________________________________________
____

*
No
daphnid
systemic
effects
in
saturated
solutions.

N
=
Nabholz
(1987).
HYDRAZINES
9/
1993
159
SAR
HYDRAZINES
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
­1.53
­
0.438
log
Kow
Statistics:
N
=
9;
R
2
=
0.91
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for:

hydrazines
hydrazones
hydrazides
thiohydrazides
semicarbazides
thiosemicarbazides
semicarbazones
thiosemicarbazones
For
hydrazines
with
missing
fragment
constants
in
CLOGP
the
following
constants
may
be
used:

1.
missing
fragment
(­
C(=
S)­):
­0.24
2.
missing
fragment
(­
NC(=
O)
N­
N):
­3.13
3.
missing
fragment
(C=
NNC(=
O)
N):
­3.39.

Limitations:
Hydrazines
which
are
10
times
less
toxic
than
predicted
by
this
SAR
are
those
hydrazines
which
have
a
carboxylic
acid
substitution:

butanedioic
acid
mono­(
2,2'­
dimethylhydrazide).

If
the
log
Kow
value
is
greater
than
5.0
and
less
than
6.6,
use
the
neutral
organics
fish
14­
d
LC50
SAR;
and
if
the
log
Kow
value
is
equal
to
or
greater
than
6.6,
use
the
neutral
organics
fish
ChV
SAR.

References:
Buccafusco
RJ,
Ells
SJ,
and
LeBlanc
GA.
1981.
Acute
toxicity
of
priority
pollutants
to
bluegill
(Lepomis
macrochirus).
Bulletin
of
Environmental
Contamination
and
Toxicology
26:
446­
452.

Hammermeister
D,
Kahl
M,
and
Broderius
S.
1990.
EEB/
ERL­
Duluth
interaction
on
various
join
projects.
Duluth,
MN:
Environmental
HYDRAZINES
9/
1993
160
Research
Laboratory­
Duluth,
United
States
Environmental
Protection
Agency,
6201
Congdon
Blvd.,
55804,
Unpublished
memorandum
to
V.
Nabolz.

Odenkirchen
EW
and
Nabholz
JV.
1989.
Generic
environmental
hazard
assessment
of
hydrazines
and
related
compounds.
Rockville,
Maryland:
Dynamac
Corporation,
11140
Rockville
Pike,
20852.

LIST
OF
HYDRAZINES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
HYDRAZINES
USED
IN
CALCULATION
OF
THE
SAR
Hydrazine
2.81
­1.37
H
Hydrazine
3.4
­1.37
ON
Monomethyl
hydrazine
3.26
­1.06
ON
Monomethyl
hydrazine
2.58
­1.06
ON
1,1­
Dimethyl
hydrazine
7.75
­1.50
H
1,1­
Dimethyl
hydrazine
10.0
­1.50
ON
1,1­
Dimethyl
hydrazine
26.5
­1.50
ON
Thiosemicarbazide
20.8
­2.4
ON
1,2­
Diphenyl
hydrazine
0.27
2.97
B
HYDRAZINES
LESS
TOXIC
THAN
PREDICTED
Butanedioic
acid
mono
(2,2'­
dimethylhydrazide)
423.0
­0.619
ON
Butanedioic
acid
mono
(2,2'­
dimethylhydrazide)
149.0
­0.619
ON
HYDRAZINES
NOT
ACUTELY
TOXIC
AT
SATURATION
N­
Acetyl­
1,2­
diphenylhydrazine
*
(mp
164EC)
2.2
H
____________________________________________________________________________________
____

H
=
Hammermeister
et
al
(1990)
ON
=
Odenkirchen
and
Nabholz
(1989)
B
=
Buccafusco
et
al
(1981)
HYDRAZINES
9/
1993
161
SAR
HYDRAZINES
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­1.2941
­
0.256
log
Kow
Statistics:
N
=
4;
R
2
=
0.46
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for:

hydrazines
hydrazones
hydrazides
thiohydrazides
semicarbazides
thiosemicarbazides
semicarbazones
thiosemicarbazones
For
hydrazines
with
missing
fragment
constants
in
CLOGP
the
following
constants
may
be
used:

1.
missing
fragment
(­
C(=
S)­):
­0.24
2.
missing
fragment
(­
NC(=
O)
N­
N):
­3.13
3.
missing
fragment
(C=
NNC(=
O)
N):
­3.39
Limitations:
Hydrazines
which
are
significantly
less
toxic
than
predicted
by
this
SAR
are
those
hydrazines
which
have
a
carboxylic
acid
substitution:

butanedioic
acid
mono­(
2,2'­
dimethylhydrazide).

If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
LeBlanc.
1980.
Acute
toxicity
of
priority
pollutants
to
water
flea
(Daphnia
magna).
Bulletin
of
Environmental
Contamination
and
Toxicology.
24:
684­
691.

Hammermeister
D,
Kahl
M,
and
Broderius
S.
1990.
EEB/
ERL­
Duluth
interaction
on
various
join
projects.
Duluth,
MN:
Environmental
Research
Laboratory­
Duluth,
United
States
Environmental
Protection
Agency,
6201
Congdon
Blvd.,
55804,
Unpublished
memorandum
to
V.
Nabolz.
HYDRAZINES
9/
1993
162
LIST
OF
HYDRAZINES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
HYDRAZINES
USED
IN
CALCULATION
OF
THE
SAR
Hydrazine
0.280
­1.37
H
1,1­
Dimethyl
hydrazine
68.2
­1.50
H
1,2­
Diphenyl
hydrazine
4.1
2.97
L
HYDRAZINES
NOT
ACUTELY
TOXIC
AT
SATURATION
N­
Acetyl­
1,2­
diphenylhydrazine
*
(mp
164EC)
2.2
H
____________________________________________________________________________________
____

H
=
Hammermeister
et
al
(1990)
L
=
LeBlanc
(1980)
HYDRAZINES
9/
1993
163
SAR
HYDRAZINES
Organism:
Green
Algae
Duration:
144­
h
Endpoint:
EC50
(Growth)

Equation:
Log
144­
h
EC50
(mM/
L)
=
­5.1725
­
0.0999
Log
Kow
Statistics:
N
=
3;
R
2
=
0.3
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
hydrazines.
SAR
equations
for
other
subclasses
of
hydrazines,
i.
e.,
alkylsemicarbazides
and
arylsemicarbazides,
may
be
found
elsewhere
in
this
volume.

Limitations:
Hydrazines
which
are
significantly
less
toxic
than
predicted
by
this
SAR
are
those
hydrazines
which
have
a
carboxylic
acid
substitution:

butanedioic
acid
mono­(
2,2'­
dimethylhydrazide).

References:
Odenkirchen
EW
and
Nabholz
JV.
1989.
Generic
environmental
hazard
assessment
of
hydrazines
and
related
compounds.
Rockville,
Maryland:
Dynamac
Corporation,
11140
Rockville
Pike,
20852.

LIST
OF
HYDRAZINES
USED
TO
DEVELOP
THE
GREEN
ALGAE
144­
h
EC50
SAR.
____________________________________________________________________________________
____
144­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
1,1­
Dimethyl
hydrazine
0.004100
­1.50
ON
Hydrazine
0.000041
­1.37
ON
____________________________________________________________________________________
____

ON
=
Odenkirchen
and
Nabholz
(1989)
HYDRAZINES
9/
1993
164
HYDRAZINES,
SEMICARBAZIDES,
ALKYL
SUBSTITUTED
9/
1993
165
SAR
HYDRAZINES,
SEMICARBAZIDE,
ALKYL
SUBSTITUTED
Organism:
Green
Algae
Duration:
6­
h
Endpoint:
EC50
(Growth)

Equation:
(1)
For
log
Kow
less
than
­1.02:

Log
6­
h
EC50
(mM/
L)
=
­2.1
­
0.521
log
Kow
(2)
For
log
Kow
greater
than
­1.02:

Log
6­
h
EC50
(mM/
L)
=
­0.89
+
0.625
log
Kow
Statistics:
(1)
For
log
Kow
less
than
­1.02:
N
=
6,
R
2
=
0.75;
(2)
For
log
Kow
greater
than
­1.02:
N
=
7,
R
2
=
0.86
Maximum
log
Kow
:
1.5
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
the
following
hydrazine
classes
with
alkyl
substitutions:

semicarbazides
thiosemicarbazides
semicarbazones
thiosemicarbazones
hydrazides
thiohydrazides
hydrazones
SAR
equations
for
aryl
substituted
semicarbazides
and
hydrazines
may
be
found
elsewhere
in
this
volume.

For
semicarbazides
with
missing
fragment
constants
in
CLOGP
the
following
constants
may
be
used:

1.
missing
fragment
(­
C(=
S)­):
­0.24
2.
missing
fragment
(­
NC(=
O)
N­
N):
­3.13
3.
missing
fragment
(C=
NNC(=
O)
N):
­3.39.

Limitations:
If
the
log
Kow
value
is
greater
than
1.5,
no
effects
expected
at
saturation.

References:
Odenkirchen
EW
and
Nabholz
JV.
1989.
Generic
environmental
hazard
assessment
of
hydrazines
and
related
compounds.
Rockville,
Maryland:
Dynamac
Corporation,
11140
Rockville
Pike,
20852.
HYDRAZINES,
SEMICARBAZIDES,
ALKYL
SUBSTITUTED
9/
1993
166
LIST
OF
ALKYL
SUBSTITUTED
SEMICARBAZIDES
USED
TO
DEVELOP
THE
GREEN
ALGAE
6­
h
EC50
SAR.
____________________________________________________________________________________
____
6­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
4­
Methyl
9.9
­2.25
ON
4­
Allyl
3.8
­1.74
ON
4­
Ethyl
5.1
­1.73
ON
4,4­
Dimethyl
4.2
­1.50
ON
4­
Isopropyl
2.7
­1.42
ON
4­
n­
Propyl
2.5
­1.20
ON
4­
t­
Butyl
4.1
­1.02
ON
4­
Isobutyl
3.9
­0.80
ON
4­
Benzyl
12.8
­0.69
ON
4­
n­
Butyl
5.9
­0.67
ON
4,4­
Diethyl
6.1
­0.44
ON
4­
n­
Pentyl
12.6
­0.14
ON
4­
n­
Hexyl
38.2
0.39
ON
____________________________________________________________________________________
____

ON
=
Odenkirchen
and
Nabholz
(1989)
HYDRAZINES,
SEMICARBAZIDES,
ARYL,
ORTHO
SUBSTITUTED
9/
1993
167
SAR
HYDRAZINES,
SEMICARBAZIDES,
ARYL,
ORTHO
SUBSTITUTED
Organism:
Green
Algae
Duration:
6­
h
Endpoint:
EC50
(Growth)

Equation:
Log
6­
h
EC50
(mM/
L)
=
­0.88
­
0.563
log
Kow
Statistics:
N
=
7;
R
2
=
0.98
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
the
following
arylsemicarbazides
with
ortho
substituents
on
the
aryl
group:

thiosemicarbazides
semicarbazones
thiosemicarbazones
hydrazides
thiohydrazides
hydrazones
SAR
equations
for
arylsemicarbazides
with
meta
and
para
substituents,
alkylsemicarbazides,
and
hydrazines
may
be
found
elsewhere
in
this
volume.

For
semicarbazides
with
missing
fragment
constants
in
CLOGP
the
following
constants
may
be
used:

1.
missing
fragment
(­
C(=
S)­):
­0.24
2.
missing
fragment
(­
NC(=
O)
N­
N):
­3.13
3.
missing
fragment
(C=
NNC(=
O)
N):
­3.39.

Limitations:
Arylsemicarbazides
which
are
significantly
more
toxic
than
predicted
by
this
SAR
are:

4­(
o­
hydroxyphenyl)
semicarbazide,
30X
excess
toxicity.

If
the
log
Kow
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
EC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Odenkirchen
EW
and
Nabholz
JV.
1989.
Generic
environmental
hazard
assessment
of
hydrazines
and
related
compounds.
Rockville,
Maryland:
Dynamac
Corporation,
11140
Rockville
Pike,
20852.
HYDRAZINES,
SEMICARBAZIDE,
ARYL,
ORTHO
SUBSTITUTED
9/
1993
168
LIST
OF
ARYLSEMICARBAZIDES
WITH
ORTHO
SUBSTITUENTS
ON
THE
ARYL
GROUP
USED
TO
DEVELOP
THE
GREEN
ALGAE
6­
h
EC50
SAR.
____________________________________________________________________________________
____
6­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
ARYLSEMICARBAZIDES
USED
IN
CALCULATION
OF
THE
SAR
4­[
o­
Nitrophenyl]
194.6
­1.47
ON
4­[
o­
Carboxyphenyl]
176.6
­1.47
ON
4­[
o­
Methoxyphenyl]
116.2
­1.30
ON
4­[
o­
Methylphenyl]
52.0
­0.57
ON
4­[
o­
Chlorophenyl]
39.4
­0.50
ON
4­[
m­
Bromophenyl]
26.2
­0.35
ON
4­[
o­
Bromophenyl]
53.4
­0.35
ON
4­[
2,5­
Dichlorophenyl]
22.3
0.21
ON
ARYLSEMICARBAZIDES
HAVING
EXCESS
TOXICITY
4­[
o­
Hydroxyphenyl]
6.0
­1.88
ON
____________________________________________________________________________________
____

ON
=
Odenkirchen
and
Nabholz
(1989)
HYDRAZINES,
SEMICARBAZIDE,
ARYL,
META/
PARA
SUBSTITUTED
9/
1993
169
SAR
HYDRAZINES,
SEMICARBAZIDES,
ARYL,
META/
PARA
SUBSTITUTED
Organism:
Green
Algae
Duration:
6­
h
Endpoint:
EC50
(Growth)

Equation:
Log
6­
h
EC50
(mM/
L)
=
­1.13
­
0.461
log
Kow
Statistics:
N
=
19;
R
2
=
0.98
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
the
following
arylsemicarbazides
with
meta
or
para
substituents
on
the
aryl
group:

thiosemicarbazides
semicarbazones
thiosemicarbazones
hydrazides
thiohydrazides
hydrazones
For
semicarbazides
with
missing
fragment
constants
in
CLOGP
the
following
constants
may
be
used:

1.
missing
fragment
(­
C(=
S)­):
­0.24
2.
missing
fragment
(­
NC(=
O)
N­
N):
­3.13
3.
missing
fragment
(C=
NNC(=
O)
N):
­3.39.

Limitations:
SAR
equations
for
arylsemicarbazides
with
ortho
substituents,
alkylsemicarbazides,
and
hydrazines
may
be
found
elsewhere
in
this
volume.
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
EC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Odenkirchen
EW
and
Nabholz
JV.
1989.
Generic
environmental
hazard
assessment
of
hydrazines
and
related
compounds.
Rockville,
Maryland:
Dynamac
Corporation,
11140
Rockville
Pike,
20852.
HYDRAZINES,
SEMICARBAZIDE,
ARYL,
META/
PARA
SUBSTITUTED
9/
1993
170
LIST
OF
ARYLSEMICARBAZIDES
WITH
META
AND
PARA
SUBSTITUENTS
ON
THE
ARYL
GROUP
USED
TO
DEVELOP
THE
GREEN
ALGAE
6­
h
EC50
SAR.
____________________________________________________________________________________
____
6­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
4­[
m­
Hydroxyphenyl]
144.8
­1.88
ON
4­[
p­
Hydroxyphenyl]
170.0
­1.88
ON
4­[
m­
Nitrophenyl]
109.5
­1.47
ON
4­[
p­
Nitrophenyl]
98.0
­1.47
ON
4­[
m­
Carboxyphenyl]
104.0
­1.47
ON
4­[
p­
Carboxyphenyl]
92.7
­1.47
ON
4­[
m­
Methoxyphenyl]
71.7
­1.30
ON
4­[
p­
Methoxyphenyl]
70.0
­1.30
ON
4­
Phenyl
42.5
­1.22
ON
4­[
p­
Ethoxyphenyl]
38.7
­0.77
ON
4­[
m­
Methylphenyl]
26.7
­0.57
ON
4­[
p­
Methylphenyl]
24.9
­0.57
ON
4­[
m­
Chlorophenyl]
22.7
­0.50
ON
4­[
p­
Chlorophenyl]
22.2
­0.50
ON
4­[
m­
Bromophenyl]
26.2
­0.35
ON
4­[
p­
Bromophenyl]
22.3
­0.35
ON
4­[
p­
Iodophenyl]
17.7
­0.09
ON
4­[
3,4­
Dichlorophenyl]
9.3
0.21
ON
4­[
2,5­
Dichlorophenyl]
22.3
0.21
ON
____________________________________________________________________________________
____

ON
=
Odenkirchen
and
Nabholz
(1989)
IMIDES
9/
1993
171
SAR
IMIDES
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
1.256
­
0.76
log
Kow
Statistics:
N
=
4;
R
2
=
0.98
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
imides.

Limitations:
For
imides
with
log
Kow
values
greater
than
5.0,
a
test
duration
of
greater
than
96
hours
may
be
required
for
proper
expression
of
toxicity.
Also,
if
the
toxicity
value
obtained
by
the
use
of
this
equation
exceeds
the
water
solubility
of
the
compound
(measured
or
estimated),
mortalities
greater
than
50%
would
not
be
expected
in
a
saturated
solution
during
an
exposure
period
of
96
hours.

References:
Fukunaga
K
(ed).
1987.
Japanese
Pesticides
Guide.
Tokyo,
Japan:
Japan
Plant
Protection
Association.

Worthing
CR
(ed).
1983.
The
Pesticide
Manual.
A
World
Compendium.
7th
Ed.
Croydon,
Great
Britain:
British
Crop
Protection
Council.

LIST
OF
IMIDES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Methylene
chloride
322.895
1.25
Z
Sumilex
*
2.2
F
Vinclozolin
32.5
2.8
W
Vinclozolin
52.5
2.8
W
Spartcide
5.5
3.7
F
____________________________________________________________________________________
____

*
=
No
fish
mortality
in
saturated
solutions.
IMIDES
9/
1993
172
F
=
Fukunaga
(1987)
W
=
Worthing
(1983)
KETONES,
DI,
ALIPHATIC
9/
1993
173
SAR
KETONES,
DI,
ALIPHATIC
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
­0.151
­
0.433
log
Kow
Statistics:
N
=
22;
R
2
=
0.87
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
aliphatic
diketones.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Brooke
LT,
Call
DJ,
Geiger
DL,
and
Northcott
CE.
1984.
Acute
toxicities
of
organic
chemicals
to
fathead
minnows
(Pimephales
promelas).
Volume
1.
Superior,
WI:
University
of
Wisconsin,
Center
for
Lake
Superior
Environmental
Studies.
pp.
414.

Geiger
DL,
Northcott
EC,
Call
DJ,
and
Brooke
LT.
1985.
Acute
toxicities
of
organic
chemicals
to
fathead
minnows
(Pimephales
promelas).
Volume
2.
Superior,
WI:
University
of
Wisconsin,
Center
for
Lake
Superior
Environmental
Studies.
pp.
326.

Juhnke
I
and
Luedemann
D.
1978.
Results
of
the
investigation
of
200
chemical
compounds
for
acute
fish
toxicity
with
the
golden
orfe
test.
Z.
F.
Wasser­
Und­
Abwasser­
Forschung
11(
5):
161­
164.

Nacci
D,
et
al.
1986.
Comparative
evaluation
of
three
rapid
marine
toxicity
tests:
sea
urchin
early
embryo
growth
test,
sea
urchin
sperm
cell
toxicity
test
and
microtox.
Environmental
Toxicology
and
Chemistry.
5:
521­
525.

Phipps
GL
and
Holcombe
GW.
1985.
A
method
for
aquatic
multiple
species
toxicant
testing:
Acute
toxicity
of
10
chemicals
to
5
vertebrates
and
2
invertebrates.
Environ.
Pollut.
Ser.
A
Ecol.
Biol.
38(
2):
141­
157.

Thurston
RV,
Gilfoil
TA,
Meyn
EL,
Zajdel
RK,
Aoki,
TL,
and
Veith
GD.
1985.
Comparative
toxicity
of
ten
organic
chemicals
to
ten
common
aquatic
species.
Water
Res.
19(
9):
1145­
1155.
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Fish
Chronic
Toxicity
Data
Base.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA,
6201
Congdon
Boulevard,
55804;
contact
C.
L.
Russom
(218)
720­
5500.
KETONES,
DI,
ALIPHATIC
9/
1993
174
LIST
OF
ALIPHATIC
DIKETONES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Methylene
chloride
322.895
1.25
Z
2,4­
pentanedione
116.0
­0.5
J
2,4­
pentanedione
104.0
­0.5
N
5,5­
dimethyl­
1,3­
11,500.0
0.5
EPA
cyclohexanedione
2,4­
pentanedione
175.0
­0.5
G
1­
benzoyl
acetone
1.1
1.0
EPA
2,4­
pentanedione
104.0
­0.5
B
2,4­
pentanedione
146.0
­0.5
J
2,4­
pentanedione
155.0
­0.5
P
2,4­
pentanedione
71.6
­0.5
P
2,4­
pentanedione
107.0
­0.5
P
2,4­
pentanedione
83.6
­0.5
P
2,4­
pentanedione
74.3
­0.5
P
2,4­
pentanedione
92.4
­0.5
T
2,4­
pentanedione
71.7
­0.5
T
2,4­
pentanedione
66.9
­0.5
T
2,4­
pentanedione
60.1
­0.5
T
2,4­
pentanedione
204.0
­0.5
T
2,4­
pentanedione
151.0
­0.5
T
2,4­
pentanedione
106.0
­0.5
T
2,4­
pentanedione
121.0
­0.5
T
2,4­
pentanedione
143.0
­0.5
T
2,4­
pentanedione
141.0
­0.5
T
____________________________________________________________________________________
____

B
=
Brooke
et
al
(1984)
EPA
=
USEPA
(1991)
G
=
Geiger
et
al
(1985)
J
=
Juhnke
and
Luedemann
(1978)
N
=
Nacci
et
al
(1986)
P
=
Phipps
and
Holcombe
(1985)
T
=
Thurston
et
al
(1985)
KETONES,
DI,
ALIPHATIC
9/
1993
175
SAR
KETONES,
DI,
ALIPHATIC
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
Equation:
Log
48­
h
LC50
(mM/
L)
=
­0.466
­
0.467
log
Kow
Statistics:
N
=
6;
R
2
=
0.98
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
aliphatic
diketones.

Limitations:
If
the
Kow
value
is
greater
than
5.0,
a
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Elnabarawy
MT,
Welter
AN,
and
Robideau
RR.
1986.
Relative
sensitivity
of
three
daphnid
species
to
selected
organic
and
inorganic
chemicals.
Environ.
Toxicol.
Chem.
5(
4):
393­
398.

Mount
DI
and
Norberg
TJ.
1984.
A
seven­
day
life­
cycle
cladoceran
toxicity
test.
Environ.
Toxicol.
Chem.
3(
3):
425­
434.

Nacci
D,
et
al.
1986.
Comparative
evaluation
of
three
rapid
marine
toxicity
tests:
sea
urchin
early
embryo
growth
test,
sea
urchin
sperm
cell
toxicity
test
and
microtox.
Environmental
Toxicology
and
Chemistry.
5:
521­
525.

LIST
OF
ALIPHATIC
DIKETONES
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Methylene
chloride
322.895
1.25
Z
2,4­
pentanedione
47.6
­0.5
N
2,4­
pentanedione
75.0
­0.5
E
2,4­
pentanedione
75.0
­0.5
E
2,4­
pentanedione
75.0
­0.5
E
2,4­
pentanedione
35.4
­0.5
M
____________________________________________________________________________________
____
KETONES,
DI,
ALIPHATIC
9/
1993
176
E
=
Elnabarawy
et
al
(1986)
M
=
Mount
and
Norberg
(1984)
N
=
Nacci
et
al
(1986)
KETONES,
DI,
ALIPHATIC
9/
1993
177
SAR
KETONES,
DI,
ALIPHATIC
Organism:
Daphnid
Duration:
16­
d
Endpoint:
ChV
Equation:
Log
ChV
(mM/
L)
=
­1.841
­
0.482
log
Kow
Statistics:
N
=
4;
R
2
=
0.98
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
aliphatic
diketones.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Elnabarawy
MT,
Welter
AN,
and
Robideau
RR.
1986.
Relative
sensitivity
of
three
daphnid
species
to
selected
organic
and
inorganic
chemicals.
Environ.
Toxicol.
Chem.
5(
4):
393­
398.

LIST
OF
ALIPHATIC
DIKETONES
USED
TO
DEVELOP
THE
DAPHNID
ChV
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Methylene
chloride
322.895
1.25
Z
2,4­
pentanedione
6.5
­0.5
E
2,4­
pentanedione
2.6
­0.5
E
2,4­
pentanedione
1.0
­0.5
E
____________________________________________________________________________________
____

E
=
Elnabarawy
et
al.
(1986)
KETONES,
DI,
ALIPHATIC
9/
1993
178
KETONES,
DI,
ALIPHATIC
9/
1993
179
SAR
KETONES,
DI,
ALIPHATIC
Organism:
Green
Algae
Duration:
Endpoint:
ChV
Equation:
Log
ChV
(mM/
L)
=
­1.806
­
0.412
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
aliphatic
diketones.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Bringmann
G
and
Kuhn
R.
1980.
Comparison
of
the
toxicity
thresholds
of
water
pollutants
to
bacteria,
algae,
and
protozoa
in
the
cell
multiplication
inhibition
test.
Water
Res.
14(
3):
231­
241.

LIST
OF
ALIPHATIC
DIKETONES
USED
TO
DEVELOP
THE
GREEN
ALGAE
ChV
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
2,4­
pentanedione
2.7
­0.5
BK
____________________________________________________________________________________
____

BK
=
Bringmann
and
Kuhn
(1980)
KETONES,
DI,
ALIPHATIC
9/
1993
180
MALONONITRILES
9/
1993
181
SAR
MALONONITRILES
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
­2.079
­
0.139
log
Kow
Statistics:
N
=
3;
R
2
=
0.40
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
malononitriles.

Limitations:
For
malononitriles
with
log
Kow
values
greater
than
5.0,
a
test
duration
of
greater
than
96
hours
may
be
required
for
proper
expression
of
toxicity.
Also,
if
the
acute
toxicity
value
obtained
by
the
use
of
this
equation
exceeds
the
water
solubility
of
the
compound
(measured
or
estimated),
significant
mortalities
would
not
be
expected
in
a
saturated
solution
during
an
exposure
period
of
96
hours.

References:
Abram
FSH
and
Wilson
P.
1979.
The
acute
toxicity
of
CS
to
rainbow
trout.
Water
Research
13:
631­
635.

LIST
OF
MALONONITRILES
USED
TO
DEVELOP
THE
FISH
96­
H
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Malononitrile
1.6
­1.2
A
o­
Chlorobenzylidene
malononitrile
0.22
1.8
A
____________________________________________________________________________________
____

A
=
Abram
and
Wilson
(1979)
MALONONITRILES
9/
1993
182
NEUTRAL
ORGANICS
7/
1988
183
SAR
NEUTRAL
ORGANICS
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
1.75
­
0.94
log
Kow
Statistics:
N
=
60;
R
2
=
0.942
Maximum
Kow
:
5.0
Maximum
MW:
1000.0
Application:
Solvents,
non­
reactive,
non­
ionizable
neutral
organic
compounds
1.
Alcohols
2.
Acetals
3.
Ketones
4.
Ethers
5.
Alkyl
halides
6.
Aryl
halides
7.
Aromatic
hydrocarbons
8.
Halogenated
aromatic
hydrocarbons
9.
Halogenated
aliphatic
hydrocarbons
10.
Sulfides
and
di­
sulfides
Limitations:
Use
the
fish
14­
day
LC50
for
neutral
organics
with
log
Kow
greater
than
5
and
less
than
7.
If
the
compound
is
and
the
LC50
is
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
Veith
GD,
Call
DJ,
and
Brooke
LT.
1983.
Structure­
toxicity
relationships
for
the
fathead
minnow,
Pimephales
promelas:
narcotic
industrial
chemicals.
Canadian
Journal
of
Fisheries
and
Aquatic
Sciences
40:
743­
748.
NEUTRAL
ORGANICS
7/
1988
184
LIST
OF
NEUTRAL
ORGANICS
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Triethylene
glycol
69800
­1.17
V
2­
Methyl­
2,4­
pentandiol
10700
­0.70
V
Methanol
28100
­0.66
V
Acetone
8120
­0.24
V
Ethanol
14200
­0.16
V
2­(
2­
Ethoxyethoxy)
ethanol
26400
­0.08
V
2­
Propanol
10400
0.14
V
2­
Butanone
3200
0.28
V
3­
Furanmethanol
(static)
508
0.32
V
Tetrahydrofuran
2160
0.46
V
3­
Methyl­
2­
butanone
864
0.62
V
2­
Methyl­
1­
propanol
1430
0.74
V
Cyclohexanone
527
0.81
V
3­
Pentanone
1540
0.84
V
1­
Butanol
1730
0.88
V
3,3­
Dimethyl­
2­
butanone
87
0.94
V
2',
3',
4'­
Trimethoxyacetophenone
172
1.12
V
2­
Phenoxyethanol
344
1.16
V
Cyclohexanol
704
1.23
V
4­
Methyl­
2­
pentanone
505
1.25
V
t­
Butylmethyl
ether
706
1.30
V
Furan
61
1.34
V
2,2,2­
Trichloroethanol
299
1.38
V
Diisopropyl
ether
91.7
1.56
V
Acetophenone
162
1.66
V
5­
Methyl­
2­
hexanone
159
1.79
V
1,3­
Dichloroethane
118
1.79
V
p­
Dimethoxybenzene
117
2.00
V
1­
Fluoro­
4­
nitrobenzene
28.4
2.02
V
1­
Hexanol
97.5
2.03
V
1,1,2­
Trichloroethane
81.7
2.07
V
6­
Methyl­
5­
heptene­
2­
one
85.7
2.13
V
2'­
Hydroxy­
4'­
methoxyacetophenone
54.9
2.14
V
1,1,2,2­
Tetrachloroethane
20.3
2.39
V
1,1,2­
Trichloroethylene
44.1
2.42
V
2­
Octanone
36
2.46
V
Tetrachloroethane
13.5
2.53
V
2,6­
Dimethoxytoluene
20.5
2.67
V
5­
Nonanone
31
3.00
V
2',
4'­
Dichloroacetophenone
11.7
3.02
V
1­
Octanol
13.5
3.03
V
Di­
n­
butyl
ether
32.5
3.08
V
____________________________________________________________________________________
____
NEUTRAL
ORGANICS
7/
1988
185
Continued.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
1,4­
Dichlorobenzene
4.0
3.37
V
Benzophenone
15.3
3.38
V
1,3­
Dichlorobenzene
7.8
3.38
V
1­
Nonanol
5.7
3.53
V
2­
Decanone
5.7
3.54
V
Pentachloroethane
7.3
3.64
V
2',
3',
4'­
Trichloroacetophenone
2.0
3.73
V
p­
Nitrophenyl
phenyl
ether
2.7
3.97
V
1­
Decanol
2.4
4.03
V
Dipentyl
ether
3.2
4.16
V
3,4­
Dichlorotoluene
2.91
4.22
V
á,
á­
2,6­
Tetrachlorotoluene
0.97
4.24
V
Diphenyl
ether
4.0
4.26
V
1,2,4­
Trichlorobenzene
2.9
4.28
V
1­
Undecanol
1.04
4.53
V
Hexachloroethane
1.5
4.62
V
1­
Dodecanol
1.01
5.00
V
7­
Tridecanone
*
5.16
V
1­
Tridecanol
*
5.51
V
Pentachlorobenzene
*
5.71
V
1,2,3,4­
Tetrachlorobenzene
1.1
5.71
V
Hexachlorobenzene
*
5.71
V
Dioctyl
ether
*
6.42
V
____________________________________________________________________________________
____

*
=
No
fish
mortality
in
saturated
solutions.

V
=
Veith
et
al.
(1983)
NEUTRAL
ORGANICS
7/
1988
186
NEUTRAL
ORGANICS
7/
1988
187
SAR
NEUTRAL
ORGANICS
Organism:
Fish,
Sheepshead
Minnow
(marine)
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Endpoint:
Log
LC50
(mM/
L)
=
0.69
­
0.73
log
Kow
Statistics:
N
=
37;
R
2
=
0.656
Maximum
Kow
:
5.0
Maximum
MW:
1000.0
Application:
Solvents,
non­
reactive,
non­
ionizable
neutral
organic
compounds:

1.
Alcohols
2.
Acetals
3.
Ketones
4.
Ethers
5.
Alkyl
halides
6.
Aryl
halides
7.
Aromatic
hydrocarbons
8.
Halogenated
aromatic
hydrocarbons
9.
Halogenated
aliphatic
hydrocarbons
10.
Sulfides
and
di­
sulfides
Limitations:
If
the
log
Kow
is
greater
than
5,
or
if
the
compound
is
solid
and
the
LC50
is
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
Zaroogian
G,
Heltshe
JF,
and
Johnson
M.
1985.
Estimation
of
toxicity
to
marine
species
with
structure
activity
models
developed
to
estimate
toxicity
to
freshwater
fish.
Aquatic
Toxicology
6:
251­
270.
NEUTRAL
ORGANICS
7/
1988
188
LIST
OF
NEUTRAL
ORGANICS
USED
TO
DEVELOP
THE
SHEEPSHEAD
MINNOW
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Methylene
chloride
322.895
1.25
Z
Diethyl
phthalate
29.979
1.40
Z
1,1­
Dichloroethylene
249.174
1.48
Z
2,4­
Dinitrophenol
28.515
1.53
Z
Dimethyl
phthalate
57.310
1.61
Z
Nitrobenzene
58.924
1.83
Z
1,1,1,2,2,2,­
Hexachloroethane
1.380
1.91
Z
4­
Nitrophenol
26.507
1.91
Z
1,3­
Dichloropropene
1.759
1.98
Z
2,3­
Dinitrotoluene
2.293
1.98
Z
2,4,6­
Trinitrophenol
128.838
2.03
Z
Bromoform
17.893
2.30
Z
4­
Chlorophenol
5.359
2.35
Z
1,1,2,2­
Tetrachloroethane
11.883
2.39
Z
1,1,1­
Trichloroethane
70.015
2.47
Z
1,1,1,2,2­
Pentachloroethane
113.762
2.89
Z
Diazinon
1.457
3.14
Z
1,4­
Dichlorobenzene
7.200
3.38
Z
1,2­
Dichlorobenzene
9.491
3.40
Z
1,3­
Dichlorobenzene
7.715
3.44
Z
2,4,5­
Trichlorophenol
1.681
3.72
Z
Hexachlorobutadiene
0.545
3.74
Z
Chlorobenzene
9.804
3.79
Z
Disulfoton
0.739
3.81
Z
Lindane
0.801
3.89
Z
Dibenzofuran
1.761
4.10
Z
Diphenyl
ether
2.350
4.21
Z
Dieldrin
0.010
4.31
Z
1,2,4­
Trichlorobenzene
20.833
4.32
Z
1,2,3,5­
Tetrachlorobenzene
3.666
4.46
Z
1,2,4,5­
Tetrachlorobenzene
0.784
4.67
Z
Methoxychlor
0.049
4.68
Z
Chloropyrifos
0.881
4.82
Z
Heptachlor
0.004
5.44
Z
Kepone
0.693
6.08
Z
Fenvalerate
0.004
6.20
Z
Parmethrin
0.068
6.50
Z
____________________________________________________________________________________
____

Z
=
Zaroogian
et
al.
(1985)
NEUTRAL
ORGANICS
7/
1988
189
SAR
NEUTRAL
ORGANICS
Organism:
Fish
Duration:
14­
day
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
1.87
­
0.871
log
Kow
Statistics:
N
=
50;
R
2
=
0.976
Maximum
Kow
:
8.0
Maximum
MW:
1000.0
Application:
Solvents,
non­
reactive,
non­
ionizable
neutral
organic
compounds:

1.
Aromatic
hydrocarbons
2.
Halogenated
aromatic
hydrocarbons
3.
Halogenated
aliphatic
hydrocarbons
4.
Alcohols
5.
Ketones
6.
Acetals
7.
Ethers
8.
Alkyl
halides
9.
Aryl
halides
10.
Sulfides
and
di­
sulfides
Also
applicable
to
reactive
compounds
(i.
e.,
compounds
which
show
excess
toxicity)
whose
log
Kow
is
greater
than
5.0,
such
as:

1.
Esters
2.
Acrylates
3.
Methacrylates
4.
Substituted
benzotriazoles
Limitations:
If
the
log
Kow
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
Konemann
H.
1981.
Quantitative
structure­
activity
relationships
in
fish
toxicity
studies.
Part
1:
Relationship
for
50
industrial
pollutants.
Toxicology
19(
3):
209­
221.
NEUTRAL
ORGANICS
7/
1988
190
LIST
OF
NEUTRAL
ORGANICS
USED
TO
DEVELOP
THE
FISH
14­
d
LC50
SAR.
____________________________________________________________________________________
____
14­
d
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Ethanediol
(ethyleneglycol)
49303.00
­1.35
K
Digol
(diethyleneglycol)
61065.00
­1.30
K
Trigol
(triethyleneglycol)
62601.00
­1.24
K
2­
Methoxyethanol
17433.00
­0.74
K
Acetone
6368.00
­0.30
K
Ethanol
11051.00
­0.26
K
2­
Ethoxyethanol
16399.00
­0.21
K
Propanol­
2
7061.00
0.15
K
2­
Isopropoxyethanol
5467.00
0.20
K
2­
Methylpropanol­
2
3547.00
0.77
K
2­
Butoxyethanol
983.00
0.86
K
Diethylether
2137.00
0.88
K
Butyldigol
1148.00
0.91
K
Butyltrigol
197.00
0.97
K
Pentanol­
3
989.00
1.21
K
Dichloromethane
294.00
1.61
K
1,3­
Dichloropropane
83.80
1.71
K
1,2­
Dichloroethane
106.00
1.76
K
2,2'­
Dichlorodiethylether
54.40
1.81
K
1,1­
Dichloroethane
202.00
1.92
K
Chloroform
102.00
2.02
K
Trans­
1,4­
dichloro­
2­
butene
39.50
2.11
K
Benzene
63.50
2.13
K
1,2­
Dichloropropane
115.00
2.16
K
Trichloroethane
55.60
2.20
K
1­
Chlorobutane
96.90
2.35
K
1,1,2­
Trichloroethane
94.40
2.38
K
2,4­
Dichloroaniline
11.70
2.42
K
1,1,1­
Trichloroethane
133.00
2.49
K
Toluene
68.30
2.59
K
2,3­
Dichloro­
1­
propane
11.10
2.60
K
1,2,3­
Trichloropropane
41.60
2.63
K
1,5­
Dichloropentane
11.20
2.77
K
Tetrachloromethane
67.10
2.79
K
Monochlorobenzene
19.10
2.81
K
á,
á'­
Dichloro­
m­
xylene
0.12
2.87
K
Tetrachloroethane
18.00
2.95
K
1,1,2,2­
Tetrachloroethane
36.70
3.01
K
o­
Xylene
35.20
3.09
K
m­
Xylene
37.70
3.09
K
p­
Xylene
35.20
3.09
K
Cyclohexane
84.20
3.18
K
____________________________________________________________________________________
____
NEUTRAL
ORGANICS
7/
1988
191
Continued.
____________________________________________________________________________________
____
14­
d
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
4­
Chlorotoluene
5.90
3.31
K
3­
Chlorotoluene
18.30
3.31
K
1,2­
Dichlorobenzene
5.80
3.53
K
1,3­
Dichlorobenzene
7.40
3.53
K
1,4­
Dichlorobenzene
4.00
3.53
K
Pentachloroethane
15.00
3.58
K
2,4,á­
Trichlorotoluene
0.24
3.87
K
2,4­
Dichlorotoluene
4.60
3.98
K
3,4­
Dichlorotoluene
5.10
3.98
K
1,2,3­
Trichlorobenzene
2.30
4.20
K
1,2,4­
Trichlorobenzene
2.40
4.20
K
1,3,5­
Trichlorobenzene
3.30
4.20
K
Hexachlorobutadiene
0.39
4.63
K
2,4,5­
Trichlorotoluene
1.70
4.72
K
1,2,4,5­
Tetrachlorobenzene
0.30
4.94
K
1,2,3,5­
Tetrachlorobenzene
0.80
4.94
K
1,2,3,4­
Tetrachlorobenzene
0.80
4.94
K
Pentachlorobenzene
0.18
5.69
K
Hexachlorobenzene
0.32
6.44
K
____________________________________________________________________________________
____

K
=
Konemann
(1981)
NEUTRAL
ORGANICS
7/
1988
192
NEUTRAL
ORGANICS
7/
1988
193
SAR
NEUTRAL
ORGANICS
Organism:
Fish
Duration:
>
30
days
Endpoint:
Chronic
Value
(Survival/
Growth;
Early
Life
Stage)

Equation:
Log
ChV
(mM/
L)
=
0.72
­
0.87
log
Kow
Statistics:
N
=
20;
R
2
=
0.91
Maximum
Kow
:
7.9
Maximum
MW:
1000.0
Application:
Solvents,
non­
reactive,
non­
ionizable
neutral
organic
compounds:

1.
Alcohols
2.
Acetals
3.
Ketones
4.
Ethers
5.
Alkyl
halides
6.
Aryl
halides
7.
Aromatic
hydrocarbons
8.
Halogenated
aromatic
hydrocarbons
9.
Halogenated
aliphatic
hydrocarbons
10.
Sulfides
and
di­
sulfides
Limitations:
If
the
log
Kow
is
greater
than
7.9
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Fish
chronic
toxicity
data
base.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA,
6201
Congdon
Blvd.,
55804;
contact
C.
L.
Russom
(218)
720­
5500.
NEUTRAL
ORGANICS
7/
1988
194
NEUTRAL
ORGANICS
7/
1988
195
SAR
NEUTRAL
ORGANICS
Organism:
Fish,
Fathead
minnow
Duration:
28­
d
Endpoint:
BCF
(Bioconcentration
Factor)

Equation:
Log
BCF
=
0.79
log
Kow
­
0.40
(the
BCF
is
without
units)

Statistics:
N
=
122;
R2
=
0.927
Maximum
Kow
:
8.0
Maximum
MW:
1000.0
Application:
Solvents,
non­
reactive,
non­
ionizable
compounds:

1.
Aromatic
amines
2.
Acetals
3.
Cyclodiene
4.
Ethers
5.
Halogenated
alkyl
6.
Halogenated
aromatic
7.
Halogenated
indoles
8.
Halogenated
phenols
9.
Phosphate
esters
Limitations:
If
log
Kow
is
greater
than
8.0,
no
significant
BCF
unless
analog
data
can
be
found,
e.
g.,
PCBs.

Reference:
Veith,
GD,
and
Kosian,
P.
1982.
Estimating
bioconcentration
potential
from
octanol/
water
partition
coefficients.
IN:
Physical
Behavior
of
PCB's
in
the
Great
Lakes.
MacKay,
Paterson,
Eisenreich,
and
Simmons,
eds.
Ann
Arbor,
MI:
Ann
Arbor
Science.
NEUTRAL
ORGANICS
7/
1988
196
LIST
OF
CHEMICALS
USED
TO
DEVELOP
THE
FISH
BIOCONCENTRATION
SAR.
____________________________________________________________________________________
____
Log
Log
Ref.
CHEMICAL
BCF
Kow
____________________________________________________________________________________
____
Lindane
2.67
3.85
VK
Atrazine
0.90
2.63
VK
Heptachlor
4.30
5.44
VK
2­
Ethylhexiphthalate
2.93
4.20
VK
DASC­
3
0.32
1.00
VK
DASC­
4
0.32
1.00
VK
NTS­
1
0.66
1.00
VK
BSB
0.32
1.00
VK
FWA­
2­
A
0.32
1.80
VK
FWA­
3­
A
0.32
1.48
VK
FWA­
4­
A
0.32
1.20
VK
Nitrobenzene
1.18
2.93
VK
p­
Nitrophenol
1.88
1.91
VK
Naphthalene
2.63
3.59
VK
Chlorobenzene
2.65
3.79
VK
2,4,5­
Trichlorophenol
3.28
3.72
VK
Endrin
3.66
4.56
VK
1,1,2,2­
Tetrachloroethylene
2.06
2.88
VK
Hexachlorobenzene
4.37
6.18
VK
p­
Biphenylphenyl
ether
3.22
5.55
VK
Carbon
tetrachloride
2.77
4.21
VK
p­
Dichlorobenzene
1.72
2.64
VK
Biphenyl
2.81
3.38
VK
Chloropyrifos
2.67
4.82
VK
Endrin
3.17
4.56
VK
2,5,6­
Trichloropyridinol
0.49
1.35
VK
Fluorene
3.11
4.38
VK
Dibenzofuran
3.13
4.12
VK
2­
Chlorophenanthrene
3.63
5.16
VK
Phenanthrene
3.42
4.46
VK
2­
Methylphenanthrene
3.48
4.86
VK
Heptachlor
3.98
5.44
VK
Heptachloroepoxide
4.16
5.40
VK
p,
p'­
DDE
4.71
5.69
VK
Pentachlorophenol
2.89
2.97
VK
Hexabromobiphenyl
6.39
4.26
VK
Methoxychlor
3.92
4.30
VK
Mirex
4.26
6.89
VK
Hexabromocyclododecane
4.26
5.81
VK
Heptachloronorborene
4.05
5.28
VK
Hexachloronorbornadiene
3.81
5.28
VK
1,2­
Dichlorobenzene
1.95
3.40
VK
1,3­
Dichlorobenzene
1.82
3.44
VK
NEUTRAL
ORGANICS
7/
1988
197
Continued.
____________________________________________________________________________________
____
Log
Log
Ref.
CHEMICAL
BCF
Kow
____________________________________________________________________________________
____
1,4­
Dichlorobenzene
1.78
3.37
VK
1,2,3,5­
Tetrachlorobenzene
3.26
4.46
VK
Pentachlorobenzene
3.53
4.94
VK
Carbon
tetrachloride
1.48
2.73
VK
Chloroform
0.78
1.90
VK
1,2­
Dichloroethane
0.30
1.45
VK
1,1,1­
Trichloroethane
0.95
2.47
VK
1,1,2,2­
Tetrachloroethane
0.90
2.39
VK
Pentachloroethane
1.83
3.21
VK
Hexachloroethane
2.14
3.93
VK
Bis(
2­
chloroethyl)
ether
1.04
1.12
VK
1,1,2­
Trichloroethylene
1.23
2.42
VK
Tetrachloroethylene
1.69
2.53
VK
Isophorone
0.84
1.67
VK
N­
Nitrosophenylamine
2.34
3.13
VK
2­
Chlorophenol
2.33
2.16
VK
2,4­
Dimethylphenol
2.33
2.16
VK
Butylbenylphthalate
2.89
4.05
VK
Dimethylphthalate
1.76
1.61
VK
Alkyl
benzene
sulfonate
2.02
1.59
VK
Alkyl
benzene
sulfonate
1.56
1.59
VK
Naphthalene
1.90
3.59
VK
2­
Methylnaphthalene
2.28
3.84
VK
1­
Methylnaphthalene
2.11
3.84
VK
Hexachlorocyclohexane
2.15
3.85
VK
Hexachlorocyclohexane
2.70
3.85
VK
Endrin
4.02
4.56
VK
Endrin
4.18
4.56
VK
Endrin
3.85
4.56
VK
Al254
4.60
6.47
VK
Al254
4.43
6.47
VK
1,4­
Dichlorobenzene
1.96
3.37
VK
1,2,3­
Trichlorobenzene
2.81
4.20
VK
1,3,5­
Trichlorobenzene
2.85
4.20
VK
1,2,3,5­
Tetrachlorobenzene
3.56
4.46
VK
Pentachlorobenzene
4.11
4.94
VK
Hexachlorobenzene
4.16
6.18
VK
Aroclor
1016
4.63
5.86
VK
Aroclor
1248
4.85
6.11
VK
Aroclor
1254
5.00
6.47
VK
Aroclor
1260
5.29
6.91
VK
Chlordane
4.58
6.00
VK
Octachlorostyrene
4.52
6.29
VK
p,
p­
DDT
4.47
5.75
VK
Continued.
NEUTRAL
ORGANICS
7/
1988
198
____________________________________________________________________________________
____
Log
Log
Ref.
CHEMICAL
BCF
Kow
____________________________________________________________________________________
____
o,
p­
DDT
4.57
5.75
VK
Hexachlorobenzene
4.27
6.18
VK
1,2,4­
Trichlorobenzene
3.32
4.23
VK
Lindane
2.26
3.85
VK
5­
Bromoindole
1.15
2.97
VK
2,4,6­
Tribromoanisol
2.94
4.48
VK
N­
Phenyl­
2­
naphylamine
2.17
4.38
VK
Tricresyl
phosphate
2.22
3.42
VK
Diphenyl
amine
1.48
3.42
VK
Toluene
1.96
3.16
VK
1,1,2,2­
Tetrachloroethylene
0.91
2.39
VK
Pentachloroethane
1.78
3.21
VK
Hexachloroethane
2.85
3.93
VK
1,3­
Dichlorobenzene
1.99
3.44
VK
1,4­
Dichlorobenzene
2.05
3.37
VK
1,2,4­
Trichlorobenzene
2.60
4.52
VK
1,2,3,4­
Tetrachlorobenzene
3.41
4.46
VK
Hexachlorobenzene
4.37
6.18
VK
Hexachloro­
1,3­
butadiene
3.84
5.10
VK
Acridine
2.10
3.30
VK
Toxaphene
3.64
5.28
VK
Toxaphene
3.59
5.28
VK
Pentachlorophenol
1.11
2.97
VK
Imidan
0.90
2.83
VK
Imidan
1.04
2.83
VK
Imidan
0.90
2.83
VK
Diazinon
1.56
1.92
VK
Diazinon
1.81
1.92
VK
Diazinon
1.24
1.92
VK
Endrin
3.21
4.56
VK
Acenaphthene
2.59
3.92
VK
____________________________________________________________________________________
____
VK
=
Veith
and
Kosian
(1982)
NEUTRAL
ORGANICS
7/
1988
199
SAR
NEUTRAL
ORGANICS
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
1.72
­
0.91
log
Kow
Statistics:
N
=
19;
R
2
=
0.992
Maximum
Kow
:
5.0
Maximum
MW:
1000.0
Application:
Solvents,
non­
reactive,
non­
ionizable
compounds:

1.
Aromatic
hydrocarbons
2.
Halogenated
aromatic
hydrocarbons
3.
Halogenated
aliphatic
hydrocarbons
4.
Alcohols
5.
Ketones
6.
Acetals
7.
Ethers
8.
Alkyl
halides
9.
Aryl
halides
10.
Sulfides
and
di­
sulfides
Also
be
applied
to
some
classes
of
reactive
organic
compounds
which
show
excess
toxicity
to
fish,
such
as:

1.
Benzotriazoles
2.
Phthalate
esters
3.
Esters
LIMITATIONS:
If
the
log
Kow
is
greater
than
5.0
and
less
than
8.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
Hermans
J,
Canton
H,
Janssen
P,
and
De
Jong
R.
1984.
Quantitative
structureactivity
relationships
and
toxicity
studies
of
mixtures
of
chemicals
with
anaesthetic
potency:
Acute
lethal
and
sublethal
toxicity
to
Daphnia
magna.
Aquatic
Toxicology
5:
143­
154.
NEUTRAL
ORGANICS
7/
1988
200
LIST
OF
NEUTRAL
ORGANICS
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Ethanediol
50452
­1.35
H
Acetone
6081
­0.30
H
Ethanol
5413
­0.26
H
2­
Ethoxyethanol
7670
­0.21
H
Diethylether
1380
0.88
H
Benzene
56.6
2.13
H
1,2­
Dichloropropane
45.0
2.16
H
1,1,2­
Trichloroethene
20.8
2.20
H
Toluene
14.9
2.59
H
1,2,3­
Trichloropropane
35.4
2.63
H
Monochlorobenzene
25.8
2.81
H
m­
Xylene
14.3
3.09
H
4­
Chlorotoluene
3.6
3.31
H
1,2­
Dichlorobenzene
3.8
3.53
H
2,4­
Dichlorotoluene
0.62
3.98
H
1,2,4­
Trichlorobenzene
2.7
4.20
H
2,4,5­
Trichlorobenzene
0.55
4.72
H
1,2,3,4­
Tetrachlorobenzene
0.54
4.94
H
Pentachlorobenzene
0.12
5.69
H
____________________________________________________________________________________
____

H
=
Hermans
et
al.
(1984)
NEUTRAL
ORGANICS
7/
1988
201
SAR
NEUTRAL
ORGANICS
Organism:
Mysid
shrimp
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
1.83
­
1.25
log
Kow
Statistics:
N
=
17;
R
2
=
0.706
Maximum
Kow
:
5.0
Maximum
MW:
1000.0
Application:
Solvents,
non­
reactive,
non­
ionizable
compounds:

1.
Alcohols
2.
Acetals
3.
Ketones
4.
Ethers
5.
Alkyl
halides
6.
Aryl
halides
7.
Aromatic
hydrocarbons
8.
Halogenated
aromatic
hydrocarbons
9.
Halogenated
aliphatic
hydrocarbons
10.
Sulfides
and
di­
sulfides
Limitations:
If
the
log
Kow
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
Zaroogian
G,
Heltshe
JF,
and
Johnson
M.
1985.
Estimation
of
toxicity
to
marine
species
with
structure
activity
models
developed
to
estimate
toxicity
to
freshwater
fish.
Aquatic
Toxicology
6:
251­
270.
NEUTRAL
ORGANICS
7/
1988
202
LIST
OF
NEUTRAL
ORGANICS
USED
TO
DEVELOP
THE
MYSID
SHRIMP
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Toluene
55.5198
2.21
Z
1,3­
Dichloropropane
10.0702
2.28
Z
Tetrachloroethylene
9.9922
2.60
Z
Benthiocarb
0.3235
3.40
Z
Hexachlorobutadiene
0.0611
3.74
Z
Chlorobenzene
16.2699
3.79
Z
EPN
0.0032
3.85
Z
Lindane
0.0059
3.89
Z
Dieldrin
0.0050
4.31
Z
1,2,4­
Trichlorobenzene
0.4454
4.32
Z
1,2,3,5­
Tetrachlorobenzene
0.3344
4.46
Z
Acenaphthene
0.0250
4.49
Z
1,2,4,5­
Tetrachlorobenzene
1.4596
4.67
Z
Pentachlorobenzene
0.1616
4.94
Z
Heptachlor
0.0030
5.44
Z
Leptophos
0.0033
6.08
Z
Fenvalerate
0.0001
6.20
Z
____________________________________________________________________________________
____

Z
=
Zaroogian
et
al.
(1985)
NEUTRAL
ORGANICS
7/
1988
203
SAR
NEUTRAL
ORGANICS
Organism:
Daphnid
Duration:
16­
d
Endpoint:
Chronic
Value
(EC50
Reproduction)

Equation:
Log
ChV
(mM/
L)
=
­0.72
log
Kow
+
0.05
Statistics:
N
=
5;
R
2
=
0.990
Maximum
Kow
:
8.0
Maximum
MW:
1000.0
Application:
Solvents,
non­
reactive,
non­
ionizable
compounds:

1.
Aromatic
hydrocarbons
2.
Halogenated
aromatic
hydrocarbons
3.
Halogenated
aliphatic
hydrocarbons
4.
Alcohols
5.
Ketones
6.
Acetals
7.
Ethers
8.
Alkyl
halides
9.
Aryl
halides
10.
Sulfides
and
di­
sulfides
This
SAR
can
also
be
applied
to
some
classes
of
reactive
organic
compounds
which
show
excess
toxicity
to
fish,
such
as:

1.
Benzotriazoles
2.
Phthalate
esters
3.
Esters
Limitations:
If
the
log
Kow
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Hermans
J,
Canton
H,
Janssen
P,
and
De
Jong
R.
1984.
Quantitative
structureactivity
relationships
and
toxicity
studies
of
mixtures
of
chemicals
with
anaesthetic
potency:
Acute
lethal
and
sublethal
toxicity
to
Daphnia
magna.
Aquatic
Toxicology
5:
143­
154.
NEUTRAL
ORGANICS
7/
1988
204
LIST
OF
NEUTRAL
ORGANICS
USED
TO
DEVELOP
THE
DAPHNID
16­
d
EC50
SAR.
____________________________________________________________________________________
____
16­
d
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Monochlorobenzene
25.8
2.81
H
4­
Chlorotoluene
3.6
3.31
H
1,2,4­
Trichlorobenzene
2.7
4.20
H
1,2,3,4­
Tetrachlorobenzene
0.54
4.94
H
Pentachlorobenzene
0.23
5.96
H
____________________________________________________________________________________
____

H
=
Hermans
et
al.
(1984)
NEUTRAL
ORGANICS
7/
1988
205
SAR
NEUTRAL
ORGANICS
Organism:
Green
algae
Duration:
96­
h
Endpoint:
EC50
(Growth)

Equation:
Log
96­
h
EC50
(mM/
L)
=
1.466
­
0.885
log
Kow
Statistics:
N
=
7;
R
2
=
0.91
Maximum
Kow
:
6.4
Maximum
MW:
1000.0
Application:

Limitations:
If
the
log
Kow
is
greater
than
6.4,
or
if
the
compound
is
solid
and
the
EC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
Calamari
D,
Galassi
S,
Setti
F,
and
Vighi
M.
1983.
Toxicity
of
selected
chlorobenzenes
to
aquatic
organisms.
Chemosphere
12:
253­
262.

Galassi
S
and
Vighi
M.
1981.
Testing
toxicity
of
volatile
substances
with
algae.
Chemosphere
10:
1123­
1126.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

United
States
Environmental
Protection
Agency
(USEPA).
1992.
Aquatic
toxicity
database.
Duluth,
MN:
USEPA,
ERL
­
Duluth.
NEUTRAL
ORGANICS
7/
1988
206
LIST
OF
NEUTRAL
ORGANICS
USED
TO
DEVELOP
THE
GREEN
ALGAE
96­
h
EC50
SAR.
____________________________________________________________________________________
____
96­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Polyether
315
1.9
EPA
Benzene
29
2.1
G
Isolinalool
14
2.4
EPA
Toluene
12.5
2.8
G
Chlorobenzene
12.5
2.9
C
trans­
Anethole
4.24
3.3
D
Ethylbenzene
4.6
3.3
G
o­
Xylene
4.7
3.4
G
m­
Xylene
4.9
3.4
G
p­
Xylene
3.2
3.4
G
1,2­
Dichlorobenzene
2.2
3.6
C
1,4­
Dichlorobenzene
0.57
3.6
C
Isopropylbenzene
2.6
3.7
G
n­
Propylbenzene
1.8
3.8
G
1,2,3­
Trichlrorbenzene
0.22
4.3
C
1,2,4­
Trichlorobenzene
0.37
4.3
C
Hexachlorobenzene
*
6.4
C
____________________________________________________________________________________
____

*
=
No
effects
in
saturated
solutions.

C
=
Calamari
et
al.
(1983)
D
=
USEPA
(1992).
EPA
=
USEPA
(1991);
chemical
identity
is
Confidential
Business
Information
under
TSCA
G
=
Galassi
and
Vighi
(1988)
NEUTRAL
ORGANICS
7/
1988
207
SAR
NEUTRAL
ORGANICS
Organism:
Green
algae
Duration:
Endpoint:
Chronic
Value
(Growth)

Equation:
Log
ChV
(mM/
L)
=
­0.036
­
0.634
log
Kow
Statistics:
N
=
7;
R
2
=
0.99
Maximum
Kow
:
8.0
Maximum
MW:
1000.0
Applications:
May
be
applied
to
other
neutral
organics
including
aldehydes.

Limitations:
If
the
log
Kow
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Calamari
D,
Galassi
S,
Setti
F,
and
Vighi
M.
1983.
Toxicity
of
selected
chlorobenzenes
to
aquatic
organisms.
Chemosphere
12:
253­
262.

Galassi
S
and
Vighi
M.
1981.
Testing
toxicity
of
volatile
substances
with
algae.
Chemosphere
10:
1123­
1126.

United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
USEPA,
Office
of
Toxic
Substances.

United
States
Environmental
Protection
Agency
(USEPA).
1992.
Aquatic
toxicity
database.
Duluth,
MN:
USEPA,
ERL
­
Duluth.

LIST
OF
NEUTRAL
ORGANICS
USED
TO
DEVELOP
THE
GREEN
ALGAE
ChV
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Polyether
15.9
1.9
EPA
Isolinalool
4.8
2.4
EPA
trans­
Anethole
3.09
3.3
D
1,4­
Dichlorobenzene
0.57
3.6
C
1,2,3­
Trichlrorbenzene
0.22
4.3
C
1,2,4­
Trichlorobenzene
0.37
4.3
C
Hexachlorobenzene
0.027
6.4
C
NEUTRAL
ORGANICS
7/
1988
208
____________________________________________________________________________________
____

C
=
Calamari
et
al.
(1983)
D
=
USEPA
(1992)
EPA
=
USEPA
(1991)
NEUTRAL
ORGANICS
7/
1988
209
SAR
NEUTRAL
ORGANICS
Organism:
Earthworm
Duration:
14­
d
Endpoint:
LC50
(Mortality)

Equation:
Log
14­
d
LC50
(mM/
L)
=
1.405
­
0.308
log
Kow
Statistics:
N
=
5;
R
2
=
0.48
Maximum
Kow
:
5.0
Maximum
MW:
1000.0
Applications:
Neutral
organics
Limitations:
None
References:
Neuhauser
EF,
Durkin
PR,
Malecki
MR,
and
Anatra
M.
1986.
Comparative
toxicity
of
ten
organic
chemicals
to
four
earthworm
species.
Comp.
Biochem.
Physiol.
83C:
197­
200.

Neuhauser
EF,
Loehr
RC,
Malecki
MR,
Milligan
DL,
and
Durkin
PR.
1985.
The
toxicity
of
selected
organic
chemicals
to
the
earthworm
Eisenia
fetida.
Journal
of
Environmental
Quality
14:
383­
388.

LIST
OF
NEUTRAL
ORGANIC
CHEMICALS
USED
TO
DEVELOP
THE
EARTHWORM
14­
d
LC50
SAR.
____________________________________________________________________________________
____
14­
d
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
2­
chloroethylvinylether
740.0
1.0
N
nitrobenzene
319.0
1.9
N
1,2­
dichloropropane
4240.0
2.0
N
fluorene
173.0
4.2
N
1,2,4­
trichlorobenzene
197.0
4.3
N
____________________________________________________________________________________
____

N
=
Neuhauser
et
al.
(1985,
1986)
NEUTRAL
ORGANICS
7/
1988
210
PEROXY
ACIDS
9/
1993
211
SAR
PEROXY
ACIDS
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
log
96­
h
LC50
(mM/
L)
=
­2.6
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
peroxy
acids.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.

LIST
OF
PEROXY
ACIDS
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Chemical
identity
CBI
0.750
2.6
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991);
chemical
identity
is
Confidential
Business
Information
under
TSCA.
PEROXY
ACIDS
9/
1993
212
PEROXY
ACIDS
9/
1993
213
SAR
PEROXY
ACIDS
Organism:
Daphnids
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­0.717
­0.417
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
peroxy
acids.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.

LIST
OF
PEROXY
ACIDS
USED
TO
DEVELOP
THE
DAPHNID
48­
H
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Chemical
identity
CBI
4.6
2.6
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1991);
chemical
identity
is
Confidential
Business
Information
under
TSCA.
PEROXY
ACIDS
9/
1993
214
PHENOLS
9/
1993
215
SAR
PHENOLS
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
0.399
­
0.616
log
Kow
Statistics:
N
=
78;
R
2
=
0.86
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
phenols.

Limitations:
Phenols
which
are
significantly
more
toxic
than
predicted
by
this
SAR
are:

catechol
with
16
x
excess
toxicity;
hydroquinone
with
1400
x
excess
toxicity;
and
p­
benzoquinone
with
5500
x
excess
toxicity.

If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
Alexander
HC,
Dill,
DC,
Smith
LW,
Guiney
PD,
and
Dorn
P.
1988.
Bisphenol
A:
Acute
aquatic
toxicity.
Environ.
Toxicol.
Chem.
7:
19­
26.

Curtis
MW
and
Ward
CH.
1981.
Aquatic
toxicity
of
forty
industrial
chemicals:
Testing
in
support
of
hazardous
substance
spill
prevention
regulation.
Journal
of
Hydrology
51:
359­
367.

DeGraeve
GM,
Geiger
DL,
Meyer
JS,
Bergman
HL.
1980.
Acute
and
embryo­
larval
toxicity
of
phenolic
compounds
to
aquatic
biota.
Arch.
Environ.
Contam.
Toxicol.
9:
557­
568.

Holcombe
GW,
Phipps
GL,
Knuth
M,
and
Felhaber
T.
1984.
The
acute
toxicity
of
selected
substituted
phenols,
benzenes,
and
benzioic
acid
esters
to
fathead
minnows,
Pimephales
promelas.
Environ.
Pollution,
Ser.
A,
35:
367­
381.

Holcombe
GW,
Phipps
GL,
and
Fiandt
JT.
1982.
Effects
of
phenol,
2,4­
dimethylphenol,
2,4­
dichlorophenol,
and
pentachlorophenol
on
embryo,
larval,
and
early­
juvenile
fathead
minnows
(Pimephales
promelas).
Arch.
Environ.
Contam.
Toxicol.
11:
73­
78.

Konemann
H,
and
Musch
A.
1981.
Quantitative
structure­
activity
relationships
in
fish
toxicity
studies.
Part
2:
The
influence
of
pH
on
the
SAR
of
chlorophenols.
Toxicology
19:
223­
228.
PHENOLS
9/
1993
216
Marking
LL,
Howe
GE,
and
Bills
TD.
1991.
Temperature
and
pH
effects
on
acute
and
chronic
toxicity
of
four
chemicals
to
amphipods
(Gammarus
pseudolimnaeus)
and
rainbow
trout
(Oncorhynchus
mykiss).
EPA/
600/
X­
90/
286.
Gulf
Breeze,
FL:
Environmental
Research
Laboratory,
Office
of
Research
and
Development,
United
States
Environmental
Protection
Agency.
August.

Saarikoski
J
and
Viluksela
M.
1982.
Relation
between
physicochemical
properties
of
phenols
and
their
toxicity
and
accumulation
in
fish.
Ecotoxicology
and
Environmental
Safety
6:
501­
512.

United
States
Environmental
Protection
Agency
(USEPA1).
1980.
Ambient
Water
Quality
Criteria
for
Phenol.
EPA­
440­
5­
80­
066.
Washington,
DC:
Criteria
and
Standards
Division,
Office
of
Water
Regulations
and
Standards,
USEPA.

United
States
Environmental
Protection
Agency
(USEPA2).
1984.
Dynamic
14­
day
acute
toxicity
of
octylphenol
to
rainbow
trout
(Salmo
gairdneri).
TSCA
Section
4(
d).
Document
No.
40­
8462075.
Washington,
DC:
OTS
Public
Files,
USEPA.
Fiche
No.
0507489
(2).

United
States
Environmental
Protection
Agency
(USEPA3).
1990.
Section
8(
e)
908.

United
States
Environmental
Protection
Agency
(USEPA4).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.

Veith
GD
and
Broderius
SJ.
1987.
Structure­
toxicity
relationships
for
industrial
chemicals
causing
type
(II)
narcosis
syndrome.
IN:
Kaiser
KLE
(ed.).
QSAR
in
Environmental
Toxicology
­
II.
New
York:
D.
Reidel
Publishing
Company.
pp.
385­
391.
PHENOLS
9/
1993
217
LIST
OF
PHENOLS
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
PHENOLS
USED
IN
THE
CALCULATION
OF
THIS
SAR
Resorcinol
60.0
0.8
C
Resorcinol
100.0
0.81
D
Phenol
44.5
1.5
EPA1
Phenol
36.3
1.5
EPA1
Phenol
36.0
1.5
EPA1
Phenol
34.9
1.5
EPA1
Phenol
26.0
1.5
EPA1
Phenol
19.0
1.5
EPA1
Phenol
16.7
1.5
EPA1
Phenol
16.4
1.5
EPA1
Phenol
10.2
1.5
EPA1
Phenol
8.9
1.5
D
Phenol
67.5
1.5
D
Phenol
29.8
1.5
K
Phenol
43.0
1.5
S
Phenol
37.0
1.5
V
3­
Methoxyphenol
74.0
1.6
V
4­
Methoxyphenol
110.0
1.6
V
4­
Nitrophenol
14.2
1.9
S
3­
Nitrophenol
11.8
1.9
S
4­
Nitrophenol
41.0
1.9
H
4­
Nitrophenol
6.9
1.9
M
3­
Methylphenol
23.1
2.1
S
4­
Methylphenol
16.5
2.1
V
p­
Cresol
7.9
2.1
D
p­
Cresol
28.6
2.1
D
o­
Cresol
8.4
2.1
D
o­
Cresol
18.2
2.1
D
m­
Cresol
8.9
2.1
D
m­
Cresol
55.9
2.1
D
2­
Chlorophenol
11.2
2.2
K
2­
Chlorophenol
13.8
2.2
S
2­
Chlorophenol
9.4
2.2
V
2­
Allylphenol
15.0
2.2
V
4­
Chlorphenol
8.5
2.5
S
3­
Chlorophenol
6.4
2.5
K
1­
Naphthol
4.6
2.6
V
4­
Ethylphenol
10.4
2.7
V
2,6­
Dichlorophenol
7.8
2.8
S
2,4­
Dimethylphenol
16.6
2.8
H
2­
Chloro­
4­
methylphenol
35.9
2.9
V
2,4­
Dichlorophenol
5.5
3.1
S
PHENOLS
9/
1993
218
____________________________________________________________________________________
___
CONTINUED.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
PHENOLS
USED
IN
CALCULATION
OF
THE
SAR
4,5­
Dichloro­
2­
methoxy
phenol
4.8
3.1
S
2,4­
Dichlorophenol
4.2
3.1
K
3,4,5­
Trichloro
2,6­
dimethoxyphenol
3.4
3.1
S
2,4­
Dichlorophenol
7.75
3.1
H
4­
Chloro­
3­
methylphenol
5.72
3.1
V
2,4­
Dichlorophenol
7.75
3.1
V
4­
Propylphenol
11.0
3.2
V
4­
Phenylazophenol
1.17
3.2
V
3,5­
Dichlorophenol
2.7
3.3
K
Bis(
thiophenol)
1.5
3.4
EPA3
2,3,6­
Trimethylphenol
0.390
3.4
S
2­
Phenylphenol
6.15
3.4
V
4,4'­[
oxybis(
2,1­
ethane
diylthio)]
bisphenol
1.5
3.4
EPA4
4­
Tert­
butylphenol
5.15
3.5
V
3,4,5­
Trichloro
2­
methoxyphenol
2.1
3.6
S
2,4,6­
Trichlorophenol
4.55
3.6
V
2,4,6­
Trichlorophenol
2.3
3.6
S
2,3,6­
Trichlorophenol
5.1
3.8
K
4­
chloro­
3,5­
dimethyl
phenol
3.4
3.8
S
4­
Phenoxyphenol
4.96
3.8
V
Bisphenol
A
4.6
3.8
A
2,3,5­
Trichlorphenol
1.6
3.9
K
2,4,5­
Trichlorophenol
1.2
3.9
S
3,4,5,6­
Tetrachloro­
2­
hydroxyphenol
2.5
3.9
S
4­
Tert­
pentylphenol
2.59
4.0
V
2­
Tert­
butyl­
4­
methylphenol
2.1
4.1
S
2,3,5,6­
Tetrachlorophenol
1.4
4.3
K
2,3,4,6­
Tetrachlorophenol
1.1
4.3
S
2,3,4,5­
Tetrachlorophenol
0.770
4.6
K
Pentachlorophenol
0.380
5.1
K
Pentachlorophenol
0.24
5.1
V
Pentachlorophenol
0.440
5.1
S
4­(
Tert­
octyl)
phenol
0.250
5.3
EPA2
4­(
Tert­
octyl)
phenol
0.210
5.3
EPA2
PHENOLS
9/
1993
219
4­
Nonylphenol
0.140
6.4
V
____________________________________________________________________________________
____

CONTINUED.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
PHENOLS
USED
IN
CALCULATION
OF
THE
SAR
Substituted
benzophenone
glyceride
*
8.0
EPA4
Hindered
phenol
*
11.0
EPA4
PHENOLS
HAVING
EXCESS
TOXICITY
p­
Benzoquinone
0.125
­0.3
D
p­
Benzoquinone
0.045
­0.3
D
Hydroquinone
0.097
0.8
D
Hydroquinone
0.044
0.8
D
Catechol
8.9
0.81
D
Catechol
3.5
0.81
D
____________________________________________________________________________________
____

*
=
No
fish
mortality
in
saturated
solutions.

A
=
Alexander
et
al
(1988)
C
=
Curtis
and
Ward
(1981)
D
=
DeGraeve
et
al
(1980)
H
=
Holcombe
et
al
(1984,
1982)
K
=
Konemann
and
Musch
(1981)
M
=
Marking
et
al
(1991)
S
=
Saarikoski
and
Viluksela
(1982)
EPA1
=
USEPA
(1980)
EPA2
=
USEPA
(1984)
EPA3
=
USEPA
(1990)
EPA4
=
USEPA
(1991)
V
=
Veith
and
Broderius
(1987)
PHENOLS
9/
1993
220
PHENOLS
9/
1993
221
SAR
PHENOLS
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
­0.451
­
0.409
log
Kow
Statistics:
N
=
48;
R
2
=
0.6
Maximum
log
Kow
:
5.5
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
phenols.

Limitations:
Phenols
which
contain
the
following
groups
may
have
excess
toxicity
compared
with
the
values
predicted
by
this
SAR:

1,2­
di(
OH)
groups
(e.
g.,
catechol);
1,4­
di(
OH)
groups
(e.
g.,
hydroquinone);
or
1,4­
di(=
O)
groups
(e.
g.,
benzoquinone).

If
the
log
Kow
value
is
greater
than
5.5,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
use
SAR
with
longer
duration.

For
aminophenols,
use
the
daphnid
48­
h
LC50
SAR
for
anilines.

References:
Alexander
HC,
Dill,
DC,
Smith
LW,
Guiney
PD,
and
Dorn
P.
1988.
Bisphenol
A:
Acute
aquatic
toxicity.
Environ.
Toxicol.
Chem.
7:
19­
26.

Kuhn
R,
Pattard
M,
Pernak,
K­
D,
and
Winter
A.
1989.
Results
of
the
harmful
effects
of
water
pollutants
to
Daphnia
magna
in
the
21
day
reproduction
test.
Water
Res.
23:
501­
510.

LeBlanc
G.
1980.
Acute
toxicity
of
priority
pollutants
to
water
flea
(Daphnia
magna).
Bull.
Environm.
Contam.
Toxicol.
24:
684­
691.

United
States
Environmental
Protection
Agency
(USEPA1).
1984.
Dynamic
14­
day
acute
toxicity
of
octylphenol
to
rainbow
trout
(Salmo
gairdneri).
TSCA
Section
4(
d).
Document
No.
40­
8462075.
Washington,
DC:
OTS
Public
Files,
USEPA.
Fiche
No.
0507489
(2).

United
States
Environmental
Protection
Agency
(USEPA2).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.
PHENOLS
9/
1993
222
LIST
OF
PHENOLS
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
PHENOLS
USED
IN
CALCULATION
OF
THE
SAR
3­
Hydroxyphenylurea
93.0
0.2
K
4­
Acetamidophenol
9.2
0.5
K
4­
Hydroxybenzonitrile
15.0
1.6
K
4­
Nitrophenol
22.0
1.9
L
2­
Chlorophenol
2.6
2.2
L
4­
Chlorophenol
4.1
2.5
L
2,4­
Dimethylphenol
2.1
2.8
L
3­(
Trifluoromethyl)
phenol
11.0
2.9
K
2,4­
Dichlorophenol
2.6
3.1
L
4­
Chloro­
6­
methylphenol
0.290
3.1
L
o­
Phenylphenol
1.5
3.4
K
2,4,6­
Trichlorophenol
6.0
3.6
L
2,4­
Dichloro­
6­
methyl
phenol
0.430
3.7
L
4­
Chloro­
3,5­
dimethyl
phenol
4.5
3.8
K
Bisphenol
A
10.2
3.8
A
2,4,5­
Trichlorophenol
2.7
3.9
L
2,3,4,6­
Tetrachlorophenol
0.290
4.3
L
2,3,5,6­
Tetrachlorophenol
0.570
4.3
L
Pentachlorophenol
0.680
5.1
L
4­(
Tert­
octyl)
phenol
0.270
5.3
EPA1
3,5­
Di­
tert­
butylphenol
1.7
5.4
K
Substituted
benzophenone
glyceride
*
8.0
EPA2
____________________________________________________________________________________
____

*
=
No
daphnid
mortalities
in
saturated
solutions.

A
=
Alexander
et
al
(1988)
EPA1
=
USEPA1
(1984)
EPA2
=
USEPA2
(1991)
K
=
Kuhn
et
al
(1989)
L
=
LeBlanc
(1980)
PHENOLS
9/
1993
223
SAR
PHENOLS
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
(Growth)

Equation:
To
find
the
estimated
acute
toxicity
of
a
phenol,
use
the
neutral
organic
green
algae
96­
h
EC50
SAR.

Maximum
log
Kow
:
6.4
Maximum
MW:
1000.0
Application:
The
neutral
organic
green
algae
96­
h
EC50
SAR
may
be
used
to
estimate
toxicity
for
phenols.

Limitations:
Phenols
which
contain
the
following
groups
may
have
excess
toxicity
compared
with
the
values
predicted
by
this
SAR:

1,2­
di(
OH)
groups
(e.
g.,
catechol);
1,4­
di(
OH)
groups
(e.
g.,
hydroquinone);
or
1,4­
di(=
O)
groups
(e.
g.,
benzoquinone).

If
the
log
Kow
value
is
greater
than
6.4,
or
if
the
compound
is
solid
and
the
EC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

For
aminophenols,
use
the
green
algae
chronic
value
SAR
for
anilines.

References:
Alexander
HC,
Dill,
DC,
Smith
LW,
Guiney
PD,
and
Dorn
P.
1988.
Bisphenol
A:
Acute
aquatic
toxicity.
Environ.
Toxicol.
Chem.
7:
19­
26.

Kuhn
R
and
Pattard
M.
1990.
Results
of
the
harmful
effects
of
water
pollutants
to
green
algae
(Scenedesmus
subspicatus)
in
the
cell
multiplication
inhibition
test.
Water
Res.
24:
31­
38.

United
States
Environmental
Protection
Agency
(USEPA1).
1984.
Dynamic
14­
day
acute
toxicity
of
octylphenol
to
rainbow
trout
(Salmo
gairdneri).
TSCA
Section
4(
d).
Document
No.
40­
8462075.
Washington,
DC:
OTS
Public
Files,
USEPA.
Fiche
No.
0507489
(2).

United
States
Environmental
Protection
Agency
(USEPA2).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.
PHENOLS
9/
1993
224
LIST
OF
PHENOLS
USED
TO
DEVELOP
THE
GREEN
ALGAE
96­
h
EC50
SAR.
____________________________________________________________________________________
____
96­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
PHENOLS
USED
IN
CALCULATION
OF
THE
SAR
3,5­
Dimethoxyphenol
110.0
1.4
K
4­
Nitrophenol
26.0
1.9
K
p­
Cresol
7.8
2.1
K
2­
Chlorophenol
50.0
2.2
K
2­
Bromophenol
60.0
2.4
K
2­
Nitro­
para­
cresol
12.0
2.5
K
4­
Chlorophenol
8.0
2.5
K
2,4­
Dichlorophenol
11.5
3.1
K
4­
Chloro­
3­
methylphenol
>10.0
3.1
K
2,4,6­
Trimethylphenol
17.0
3.4
K
Bis(
thiophenol)
0.740
3.4
EPA2
Bisphenol
A
2.7
3.8
A
4­(
Tert­
octyl)
phenol
1.6
5.3
EPA1
PHENOLS
HAVING
EXCESS
TOXICITY
2­
Amino­
4­
methylphenol
4.6
1.3
K
____________________________________________________________________________________
____

A
=
Alexander
et
al
(1988)
EPA1
=
USEPA1
(1984)
EPA2
=
USEPA2
(1991)
K
=
Kuhn
and
Pattard
(1990)
PHENOLS
9/
1993
225
SAR
PHENOLS
Organism:
Fish
Duration:
30­
d
Endpoint:
Chronic
Value
Equation:
Log
ChV
(mM/
L)
=
­0.401
­
0.652
log
Kow
Statistics:
N
=
20;
R
2
=
0.94
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
phenols.

Limitations:
Phenols
which
contain
the
following
groups
may
have
excess
toxicity
compared
with
the
values
predicted
by
this
SAR:

1,2­
di(
OH)
groups
(e.
g.,
catechol);
1,4­
di(
OH)
groups
(e.
g.,
hydroquinone);
or
1,4­
di(=
O)
groups
(e.
g.,
benzoquinone).

If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.
A
test
duration
of
more
than
30
days
may
result
in
a
lower
chronic
toxicity;
at
60
days
the
toxicity
will
be
20
x
lower
than
predicted
by
this
SAR
for
phenols
with
a
log
Kow
of
1.5
and
4
x
lower
for
phenols
with
a
log
Kow
of
5.3.
For
an
exposure
period
of
60
days,
a
separate
SAR
has
been
developed.

For
aminophenols,
use
the
fish
ChV
SAR
for
anilines.

References:
DeGraeve
GM,
Geiger
DL,
Meyer
JS,
and
Bergman
HL.
1980.
Acute
and
embryo­
larval
toxicity
of
phenolic
compounds
to
aquatic
biota.
Arch.
Environ.
Contam.
Toxicol.
9:
557­
568.

Hedtke
SF,
West
CW,
Allen
KN,
Norberg­
King
TJ,
and
Mount
DI.
1986.
Toxicity
of
pentachlorophenol
to
aquatic
organisms
under
naturally
varying
and
controlled
conditions.
Environ.
Toxicol.
Chem.
5:
531­
542.

Holcombe
GW,
Phipps
GL,
and
Fiandt
JT.
1982.
Effects
of
phenol,
2,4­
dimethylphenol,
2,4­
dichlorophenol,
and
pentachlorophenol
on
embryo,
larval,
and
early­
juvenile
fathead
minnows
(Pimephales
promelas).
Arch.
Environ.
Contam.
Toxicol.
11:
73­
78.

Marking
LL,
Howe
GE,
and
Bills
TD.
1991.
Temperature
and
pH
effects
on
acute
and
chronic
toxicity
of
four
chemicals
to
amphipods
(Gammarus
pseudolimnaeus)
and
rainbow
trout
(Oncorhynchus
mykiss).
EPA/
600/
X­
90/
286.
Gulf
Breeze,
FL:
Envrionmental
Research
PHENOLS
9/
1993
226
Laboratory,
Office
of
Research
and
Development,
United
States
Environmental
Protection
Agency.
August.

Spehar
RL,
Nelson
HP,
Swanson
MJ,
and
Renos
JW.
1985.
Pentachlorophenol
toxicity
to
amphipods
and
fathead
minnows
at
different
test
pH
values.
Environ.
Toxicol.
Chem.
4:
389­
397.

United
States
Environmental
Protection
Agency
(USEPA1).
1980.
Ambient
Water
Quality
Criteria
for
Phenol.
EPA­
440­
5­
80­
066.
Washington,
DC:
Criteria
and
Standards
Division,
Office
of
Water
Regulations
and
Standards,
USEPA.

United
States
Environmental
Protection
Agency
(USEPA2).
1984.
Dynamic
14­
day
acute
toxicity
of
octylphenol
to
rainbow
trout
(Salmo
gairdneri).
TSCA
Section
4(
d).
Document
No.
40­
8462075.
Washington,
DC:
OTS
Public
Files,
USEPA.
Fiche
No.
0507489
(2).

United
States
Environmental
Protection
Agency
(USEPA3).
1991.
Fish
Chronic
Toxicity
Data
Base.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA,
6201
Congdon
Boulevard,
55804;
contact
C.
L.
Russom
(218)
720­
5500.
PHENOLS
9/
1993
227
LIST
OF
PHENOLS
USED
TO
DEVELOP
THE
FISH
30­
d
ChV
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
PHENOLS
USED
IN
CALCULATION
OF
THE
SAR
2,2'­
Methylene
bis
(4­
chlorophenol)
0.122
5.0
EPA3
4­
Nitrophenol
3.38
1.9
M
Phenol
1.4
1.5
D
Phenol
2.56
1.5
EPA1
o­
Cresol
1.8
2.1
EPA3
4­
Nitrophenol
2.65
1.9
EPA3
2,4­
Dimethylphenol
2.48
2.8
HO
2,4­
Dimethylphenol
0.763
2.8
EPA3
p­
Cresol
1.86
2.1
EPA3
Phenol
2.56
1.5
HO
2­
Phenylphenol
1.22
3.4
EPA3
Pentachlorophenol
0.089
5.1
S
Pentachlorophenol
0.057
5.1
HO
Pentachlorophenol
0.040
5.1
S
Pentachlorophenol
0.144
5.1
HE
Pentachlorophenol
0.049
5.1
S
Pentachlorophenol
0.024
5.1
S
2,4,5­
Trichlorophenol
0.232
3.9
EPA3
2,4­
Dichlorophenol
0.365
3.1
HO
PHENOLS
HAVING
EXCESS
TOXICITY
Phenol
<0.200
1.5
D
4­(
Tert­
octyl)
phenol
0.008
5.3
EPA2
____________________________________________________________________________________
____

D
=
DeGraeve
et
al
(1980)
EPA1
=
USEPA
(1980)
EPA2
=
USEPA
(1984)
EPA3
=
USEPA
(1991)
HE
=
Hedtke
et
al
(1986)
HO
=
Holcombe
et
al
(1982)
M
=
Marking
et
al
(1991)
S
=
Spehar
et
al
(1985)
PHENOLS
9/
1993
228
PHENOLS
9/
1993
229
SAR
PHENOLS
Organism:
Fish
Duration:
60­
d
Endpoint:
Chronic
Value
Equation:
Log
ChV
(mM/
L)
=
­2.029
­
0.447
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
phenols.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

For
aminophenols,
use
the
fish
ChV
SAR
for
anilines.

References:
DeGraeve
GM,
Geiger
DL,
Meyer
JS,
and
Bergman
HL.
1980.
Acute
and
embryo­
larval
toxicity
of
phenolic
compounds
to
aquatic
biota.
Arch.
Environ.
Contam.
Toxicol.
9:
557­
568.

United
States
Environmental
Protection
Agency
(USEPA).
1984.
Dynamic
14­
day
acute
toxicity
of
octylphenol
to
rainbow
trout
(Salmo
gairdneri).
TSCA
Section
4(
d).
Document
No.
40­
8462075.
Washington,
DC:
OTS
Public
Files,
USEPA.
Fiche
No.
0507489
(2).

LIST
OF
PHENOLS
USED
TO
DEVELOP
THE
FISH
60­
d
ChV
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
PHENOLS
USED
IN
CALCULATION
OF
THE
SAR
Phenol
<0.200
1.5
D
4­(
Tert­
octyl)
phenol
0.008
5.3
EPA
____________________________________________________________________________________
____

D
=
DeGraeve
et
al
(1980)
EPA
=
USEPA
(1984)
PHENOLS
9/
1993
230
PHENOLS
9/
1993
231
PHENOLS
9/
1993
232
SAR
PHENOLS
Organism:
Daphnid
Duration:
Endpoint:
Chronic
Value
Equation:
Log
ChV
(mM/
L)
=
­0.573
­
0.614
log
Kow
Statistics:
N
=
12;
R
2
=
0.92
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
toxicity
for
phenols.

Limitations:
Phenols
which
contain
the
following
groups
may
have
excess
toxicity
compared
with
the
values
predicted
by
this
SAR:

1,2­
di(
OH)
groups
(e.
g.,
catechol);
1,4­
di(
OH)
groups
(e.
g.,
hydroquinone);
or
1,4­
di(=
O)
groups
(e.
g.,
benzoquinone).

3,5­
Dimethoxyphenol
has
an
excess
toxicity
of
18
x
that
predicted
by
this
SAR.

If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

For
aminophenols,
use
the
daphnid
ChV
SAR
for
anilines.

References:
Kuhn
R,
Pattard
M,
Pernak,
K­
D,
and
Winter
A.
1989.
Results
of
the
harmful
effects
of
water
pollutants
to
Daphnia
magna
in
the
21
day
reproduction
test.
Water
Res.
23:
501­
510.

Oris
JT,
Winner
RW,
and
Moore
MV.
1991.
A
four­
day
survival
and
reproduction
toxicity
test
for
Ceriodaphnia
dubia.
Environ.
Toxicol.
Chem.
10:
217­
224.

United
States
Environmental
Protection
Agency
(USEPA).
1984.
Dynamic
14­
day
acute
toxicity
of
octylphenol
to
rainbow
trout
(Salmo
gairdneri).
TSCA
Section
4(
d).
Document
No.
40­
8462075.
Washington,
DC:
OTS
Public
Files,
USEPA.
Fiche
No.
0507489
(2).
PHENOLS
9/
1993
233
LIST
OF
PHENOLS
USED
TO
DEVELOP
THE
DAPHNID
ChV
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
PHENOLS
USED
IN
CALCULATION
OF
THE
SAR
Phenol
4.9
1.5
O
4­
Nitrophenol
1.8
1.9
K
4­
Methylphenol
1.4
2.1
K
2­
Chlorophenol
0.500
2.2
K
2­
Bromophenol
1.5
2.4
K
4­
Chlorophenol
0.840
2.5
K
2­
Nitro­
para­
cresol
3.2
2.5
K
2,4­
Dichlorophenol
0.290
3.1
K
4­
Chloro­
3­
methylphenol
1.8
3.1
K
2,4,6­
Trimethylphenol
0.160
3.4
K
4­(
Tert­
octyl)
phenol
0.086
5.3
EPA
PHENOLS
HAVING
EXCESS
TOXICITY
2­
Amino­
4­
methylphenol
0.400
1.3
K
3,5­
Dimethoxyphenol
0.320
1.4
K
____________________________________________________________________________________
____
PHENOLS
9/
1993
234
SAR
PHENOLS
Organism:
Green
Algae
Duration:
Endpoint:
Chronic
Value
(Growth)

Equation:
To
find
the
estimated
chronic
toxicity
of
a
phenol,
use
the
neutral
organic
green
algae
ChV
SAR.

Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
The
neutral
organic
green
algae
ChV
SAR
may
be
used
to
estimate
toxicity
for
phenols.

Limitations:
Phenols
which
contain
the
following
groups
may
have
excess
toxicity
compared
with
the
values
predicted
by
this
SAR:

1,2­
di(
OH)
groups
(e.
g.,
catechol);
1,4­
di(
OH)
groups
(e.
g.,
hydroquinone);
or
1,4­
di(=
O)
groups
(e.
g.,
benzoquinone).

If
the
log
Kow
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

For
aminophenols,
use
the
aniline
green
algae
ChV
SAR.

References:
Kuhn
R
and
Pattard
M.
1990.
Results
of
the
harmful
effects
of
water
pollutants
to
green
algae
(Scenedesmus
subspicatus)
in
the
cell
multiplication
inhibition
test.
Water
Res.
24:
31­
38.

Slooff
W,
Canton
JH,
and
Hermens
JLM.
1983.
Comparison
of
the
susceptibility
of
22
freshwater
species
to
15
chemical
compounds.
I.
(Sub)
Acute
toxicity
tests.
Aquatic
Toxicology
4;
113­
128.

United
States
Environmental
Protection
Agency
(USEPA1).
1984.
Dynamic
14­
day
acute
toxicity
of
octylphenol
to
rainbow
trout
(Salmo
gairdneri).
TSCA
Section
4(
d).
Document
No.
40­
8462075.
Washington,
DC:
OTS
Public
Files,
USEPA.
Fiche
No.
0507489
(2).

United
States
Environmental
Protection
Agency
(USEPA2).
1991.
OTS
PMN
ECOTOX.
Washington,
DC:
Office
of
Toxic
Substances,
USEPA.
5
235
LIST
OF
PHENOLS
USED
TO
DEVELOP
THE
GREEN
ALGAE
ChV
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
PHENOLS
USED
IN
CALCULATION
OF
THE
SAR
3,5­
Dimethoxyphenol
40.0
1.4
K
4­
Nitrophenol
2.1
1.9
K
o­
Cresol
34.0
2.1
S
o­
Cresol
11.0
2.1
S
o­
Cresol
36.0
2.1
S
o­
Cresol
65.0
2.1
S
p­
Cresol
2.3
2.1
K
2­
Chlorophenol
24.0
2.2
K
2­
Bromophenol
28.0
2.4
K
2­
Nitro­
p­
cresol
6.3
2.5
K
4­
Chlorophenol
3.0
2.5
K
4­
Chloro­
3­
methylphenol
5.2
3.1
K
2,4­
Dichlorophenol
2.4
3.1
K
2,4,6­
Trimethylphenol
5.8
3.4
K
Bis(
thiophenol)
0.300
3.4
EPA2
4­(
Tert­
octyl)
phenol
<0.860
5.3
EPA1
PHENOLS
WITH
EXCESS
TOXICITY
2­
Amino­
4­
methylphenol
0.750
1.3
K
____________________________________________________________________________________
____

EPA1
=
USEPA
(1984)
EPA2
=
USEPA
(1991)
K
=
Kuhn
and
Pattard
(1990)
S
=
Slooff
et
al
(1983)
PHENOLS,
DINITRO
9/
1993
236
SAR
PHENOLS,
DINITRO
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
96­
h
LC50
(mM/
L)
=
­0.285
­
0.559
log
Kow
Statistics:
N
=
4;
R
2
=
0.96
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
dinitrophenols
and
other
polynitrophenols.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Veith
GD
and
Broderius
SJ.
1987.
Structure­
toxicity
relationships
for
industrial
chemicals
causing
type
(II)
narcosis
syndrome.
In:
Kaiser
KLE
(ed.).
QSAR
in
Environmental
Toxicology­
II.
Boston,
MA:
D.
Reidel
Pub.
Co.,
pp.
385­
391.

LIST
OF
DINITROPHENOLS
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
96­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
2,4­
dinitrophenol
11.0
1.5
VB
4,6­
dinitro­
o­
cresol
1.54
2.6
VB
2,4­
dinitro­
1­
naphthol
sodium
4.24
3.09
VB
____________________________________________________________________________________
____

VB
=
Veith
and
Broderius
(1987)
PHENOLS,
DINITRO
9/
1993
237
PHENOLS,
DINITRO
9/
1993
238
SAR
PHENOLS,
DINITRO
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
48­
h
LC50
(mM/
L)
=
0.083
­
0.632
log
Kow
Statistics:
N
=
7;
R
2
=
0.85
Maximum
log
Kow
:
7.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
dinitrophenols
and
other
polynitrophenols.

Limitations:
If
the
log
Kow
value
is
greater
than
7.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Hermens
J,
Canton
H,
Janssen
P,
and
DeJong
R.
1984.
Quantitative
structure­
activity
relationships
and
toxicity
studies
of
mixtures
of
chemicals
with
anaesthetic
potency:
Acute
lethal
and
sublethal
toxicity
to
Daphnia
magna.
Aquatic
Toxicology
5:
143­
154.

Kuhn
R,
Pattard
M,
Pernak
K­
D,
and
Winter
A.
1989.
Results
of
the
harmful
effects
of
selected
water
pollutants
(anilines,
phenols,
aliphatic
compounds)
to
Daphnia
magna.
Water
Research
23:
495­
499.

LeBlanc.
1980.
Acute
toxicity
of
priority
pollutants
to
water
flea
(Daphnia
magna).
Bulletin
of
Environmental
Contamination
and
Toxicology.
24:
684­
691.

LIST
OF
DINITROPHENOLS
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
48­
h
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
2,4,6­
trinitrophenol
85.0
1.8
L
2,4,6­
trinitrophenol
90.0
1.8
K
2,4­
dinitrophenol
4.1
1.9
L
2,4­
dinitro­
6­
methyl
phenol
3.1
2.6
L
dinitro­
o­
cresol
3.3
2.6
H
2­
methyl­
4,6­
dinitrophenol
2.7
2.6
K
PHENOLS,
DINITRO
9/
1993
239
____________________________________________________________________________________
____

Kuhn
=
Kuhn
et
al
(1989)
H
=
Hermens
et
al
(1984)
L
=
LeBlanc
(1980)
PHENOLS,
DINITRO
9/
1993
240
SAR
PHENOLS,
DINITRO
Organism:
Fish
Duration:
32­
d
Endpoint:
Chronic
Value
(Survival/
Growth)

Equation:
Log
ChV
(mM/
L)
=
­1.78
­
0.552
log
Kow
Statistics:
N
=
4;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
dinitrophenols
and
other
polynitrophenols.

Limitations:
If
the
log
Kow
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Fish
Chronic
Toxicity
Data
Base.
Duluth,
MN:
Environmental
Research
Laboratory
(ERL),
Office
of
Research
and
Development,
USEPA,
6201
Congdon
Boulevard,
55804;
contact
C.
L.
Russom
(218)
720­
5500.

LIST
OF
DINITROPHENOLS
USED
TO
DEVELOP
THE
FISH
CHRONIC
(ChV)
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
2,4­
dinitrophenol
0.278
1.5
D
4,6­
dinitro­
o­
cresol
0.171
2.3
D
2­(
1­
methylpropyl)

4,6­
dinitrophenol
0.027
3.7
D
____________________________________________________________________________________
____

D
=
USEPA
(1991)
PHENOLS,
DINITRO
9/
1993
241
PHENOLS,
DINITRO
9/
1993
242
SAR
PHENOLS,
DINITRO
Organism:
Daphnid
Duration:
16­
d
Endpoint:
Chronic
Value
(Survival/
Reproduction)

Equation:
Log
ChV
(mM/
L)
=
­0.465
­
0.654
log
Kow
Statistics:
N
=
2;
R
2
=
1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
toxicity
for
dinitrophenols
and
other
polynitrophenols.

Limitations:
If
the
log
Kow
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
ChV
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
Hermens
J,
Canton
H,
Janssen
P,
and
DeJong
R.
1984.
Quantitative
structure­
activity
relationships
and
toxicity
studies
of
mixtures
of
chemicals
with
anaesthetic
potency:
Acute
lethal
and
sublethal
toxicity
to
Daphnia
magna.
Aquatic
Toxicology
5:
143­
154.

LIST
OF
DINITROPHENOLS
USED
TO
DEVELOP
THE
DAPHNID
CHRONIC
VALUE
(ChV)
SAR.
____________________________________________________________________________________
____
ChV
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Dinitro­
o­
cresol
2.1
2.3
H
____________________________________________________________________________________
____
H
=
Hermens
et
al
(1984)
PHENOLS,
DINITRO
9/
1993
243
POLYMERS,
POLYCATIONIC
9/
1993
244
SAR
POLYMERS,
POLYCATIONIC
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Determine
either
the
percent
amine
nitrogen
or
the
number
of
positive
charges
per
1000
units
of
molecular
weight
and
use
the
appropriate
SAR:

1.
If
the
percent
amine
nitrogen
is
less
than
3.5:

Log
LC50
(mg/
L)
=
1.3076
­
0.534
x
(percent
amine
nitrogen)

If
the
percent
amine
nitrogen
is
greater
than
or
equal
to
3.5,
then
the
fish
96­
h
LC50
is
0.27
mg/
L.

2.
If
the
number
of
positive
charges
per
1000
units
of
MW
is
less
than
2.5:

Log
LC50
(mg/
L)
=
1.3116
­
0.7606
x
(number
of
positive
charges
per
1000
MW
units)

If
the
number
of
positive
charges
per
1000
units
of
molecular
weight
is
greater
than
or
equal
to
2.5,
then
the
fish
96­
h
LC50
is
0.27
mg/
L.

Statistics:
For
the
percent
amine
nitrogen
SAR:
(less
than
3.5%
amine
nitrogen)
N
=
12
and
R
2
=
0.73,
(greater
than
or
equal
to
3.5%
amine
nitrogen)
N
=
20
and
the
standard
deviation
is
plus
or
minus
0.18
logarithmic
units;
For
the
number
of
positive
charges/
1000
units
MW
SAR:
(less
than
2.5
charges/
100
MW)
N
=
12
and
R
2
=
0.73
Minimum
MW:
1000.0
Application:
These
SARs
may
be
used
for
polycationic
polymers
which
are
highly
water
soluble
or
dispersible
and
contain
nitrogen
which
may
be
protonated
and/
or
quaternarized.
These
SARs
may
be
used
for
polysulfoniums
and
polyphosphoniums
which
are
dispersible.

Limitations:
Polycationic
polymers
which
contain
silicon
may
have
limited
water
solubility
or
dispersibility.
Polycationic
polymers
which
contain
anionic
groups
may
be
significantly
less
toxic
than
predicted
by
this
SAR.
For
example,
a
polycationic
polymer
containing
4.7
percent
amine
nitrogen
(or
3.4
cationic
charges
per
1000
molecular
weight)
and
anionic
groups
with
a
cationic:
anionic
molar
ratio
of
1:
1.1,
will
be
about
24
times
less
toxic
than
predicted,
i.
e.,
fish
96­
h
LC50
is
6.6
mg/
L.

References:
Nabholz
JV.
1988.
A
structure­
activity
relationship
for
polycationic
polymers.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
POLYMERS,
POLYCATIONIC
9/
1993
245
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency
20460­
0001.

LIST
OF
COMPOUNDS
USED
TO
DEVELOP
THE
POLYCATIONIC
POLYMER
FISH
96­
h
LC50
SAR.
____________________________________________________________________________________
____
Percent
Number
of
Positive
Average
96­
h
Amine
Charges
per
1000
Molecular
LC50
Nitrogen
Units
of
Mol.
Weight
Weight
(1000)
(mg/
L)
____________________________________________________________________________________
____
0.7
0.5
1.8
9.2
0.7
0.5
1.8
8.5
0.7
0.5
1.8
3.9
0.7
0.5
100.0
53.0
2.0
1.4
2500.0
0.97
2.0
1.4
2500.0
2.3
2.0
1.4
1100.0
0.64
2.0
1.4
1100.0
1.2
2.1
1.5
19000.0
0.84
3.0
2.1
100
0.94
3.4
2.4
*
0.6
3.4
2.4
*
0.3
6.0
4.3
>5.0
0.15
6.0
4.3
>5.0
0.16
6.0
4.3
>5.0
0.29
8.0
5.7
5.0
0.13
8.0
5.7
5.0
0.22
8.0
5.7
5.0
0.22
9.2
6.6
*
0.5
11.0
7.9
1.8
0.22
12.0
8.6
*
1.9
15.0
10.7
*
0.26
15.0
10.7
*
0.24
17.0
12.1
*
0.45
17.2
12.3
50.0
0.45
20.0
14.3
*
0.32
20.0
14.3
*
0.32
20.0
14.3
*
0.32
20.0
14.3
*
0.32
20.0
14.3
*
0.23
20.0
14.3
*
0.20
____________________________________________________________________________________
____*
Unavailable
at
present.
POLYMERS,
POLYCATIONIC
0/
1993
246
SAR
POLYMERS,
POLYCATIONIC
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
The
first
SAR
uses
percent
amine
nitrogen
to
estimate
toxicity
while
the
second
SAR
uses
the
number
of
positive
charges
per
1000
unites
of
molecular
weight.
The
toxicity
increases
rapidly
from
0.1
to
2.3
percent
amine
nitrogen;
thereafter,
toxicity
increases
slowing
with
increasing
charge
density.
The
SAR
equations
used
to
estimate
the
acute
toxicity
are:

1.
Log
LC50
(mg/
L)
=
3.41
­
1.53
x
(percent
amine
nitrogen)

2.
Log
LC50
(mg/
L)
=
3.43
­
2.19
x
(number
of
positive
charges
per
1000
MW
units)

Maximum
Value:
percent
amine
nitrogen
SAR:
2.3%
amine
nitrogen;
number
of
positive
charges/
1000
MW
SAR:
1.6
Minimum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
polycationic
polymers
which
are
highly
water
soluble
or
dispersible
and
contain
a
nitrogen
which
can
be
protonated
and/
or
quaternarized.
This
SAR
may
be
used
for
polysulfoniums
and
polyphosphoniums
which
are
dispersible.

Limitations:
Polycationic
polymers
which
contain
silicon
may
have
limited
water
solubility
or
dispersibility.

Polycationic
polymers
which
contain
anionic
groups
may
be
significantly
less
toxic
than
predicted
by
this
SAR.
For
example,
a
polycationic
polymer
containing
4.7
percent
amine
nitrogen
(or
3.4
cationic
charges
per
1000
molecular
weight)
and
anionic
groups
with
a
cationic:
anionic
molar
ratio
of
1:
1.1,
will
be
about
31
times
less
toxic
than
predicted,
i.
e.,
daphnid
48­
h
LC50
is
19.8
mg/
L.

References:
Nabholz
JV.
1988.
A
structure­
activity
relationship
for
polycationic
polymers.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency
20460­
0001.
POLYMERS,
POLYCATIONIC
9/
1993
247
LIST
OF
COMPOUNDS
USED
TO
DEVELOP
THE
DAPHNID
48­
h
LC50
SAR.
____________________________________________________________________________________
____
Percent
Number
of
Positive
Average
96­
h
Amine
Charges
per
1000
Molecular
LC50
Nitrogen
Units
of
Mol.
Weight
Weight
(1000)
(mg/
L)
____________________________________________________________________________________
___

0.7
0.5
*
300.0
0.7
0.5
*
310.0
2.0
1.4
*
1.7
8.0
5.7
5.0
0.34
11.0
7.9
1.8
0.58
12.0
8.6
1.2
1.2
15.0
10.7
*
0.26
20.0
14.3
*
0.17
____________________________________________________________________________________
____
*
Unavailable
at
present.
POLYMERS,
POLYCATIONIC
9/
1993
248
SAR
POLYMERS,
POLYCATIONIC
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
(Growth)

Equation:
The
algal
96­
h
EC50
can
be
estimated
by
dividing
the
equivalent
fish
96­
h
LC50
estimate
by
6.
In
addition,
the
algal
96­
h
no
effect
concentration
(NEC;
same
as
GMATC)
can
be
estimated
by
dividing
the
algal
96­
h
EC50
by
2.5.

Minimum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
polycationic
polymers
which
are
highly
water
soluble
or
dispersible
and
contain
a
nitrogen
which
can
be
protonated
and/
or
quaternarized.
This
SAR
may
be
used
for
polysulfoniums
and
polyphosphoniums
which
are
dispersible.

Limitations:
Polycationic
polymers
which
contain
silicon
may
have
limited
water
solubility
or
dispersibility.

Polycationic
polymers
which
contain
anionic
groups
may
be
significantly
less
toxic
than
predicted
by
this
SAR.
For
example,
a
polycationic
polymer
containing
4.7
percent
amine
nitrogen
(or
3.4
cationic
charges
per
1000
molecular
weight)
and
anionic
groups
with
a
cationic:
anionic
molar
ratio
of
1:
1.1,
will
be
about
30
times
less
toxic
than
predicted,
i.
e.,
the
algal
96­
h
EC50
is
1.35
mg/
L.

References:
Nabholz
JV.
1988.
A
structure­
activity
relationship
for
polycationic
polymers.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency
20460­
0001.
POLYMERS,
POLYCATIONIC
9/
1993
249
LIST
OF
COMPOUNDS
USED
TO
DEVELOP
THE
GREEN
ALGAE
96­
h
EC50
SAR.
____________________________________________________________________________________
____
Percent
Number
of
Positive
Average
96­
h
96­
h
Amine
Charges
per
1000
Molecular
EC50
NEC
Nitrogen
Units
of
Mol.
Weight
Weight
(1000)
(mg/
L)
(mg/
L)
____________________________________________________________________________________
____
0.7
0.5
*
300.0
0.88
8.0
5.7
5.0
0.16
*
11.0
7.9
1.8
0.07
0.034
____________________________________________________________________________________
____

*
Unavailable
at
present.
SURFACTANTS,
ANIONIC
9/
1993
250
SAR
SURFACTANTS,
ANIONIC
Organism:
Fish
Duration:
96­
h
and
28­
d
Endpoint:
LC50
and
NEC
Equation:
Determine
the
average
length
of
the
carbon
chain
to
the
nearest
tenth
and
use
the
SAR
equation:

Log
LC50
(mg/
L)
=
[(
avg.
no.
of
carbons
­16)
2
­
10.643]/
12.9346
The
fish
28­
d
no
effect
concentrations
(NEC,
GMATC,
or
chronic
value)
can
be
estimated
by
dividing
the
estimated
acute
value
derived
above
by
6.5.

Statistics:
N
=
14;
R
2
=
0.624
Maximum
Value:
carbon
chain
length
of
18
carbons
Minimum
Value:
carbon
chain
length
of
10
carbons
Application:
This
SAR
may
be
used
for
the
following
classes
of
compounds:

1.
Alkyl
benzene
sulfonates
2.
Linear
alkyl
sulfonates
(LAS)
3.
Amphoteric
surfactants
with
a
sulfonate,
phosphonate,
or
carboxylate
terminus
4.
Anionic
surfactants
terminated
with
phosphates
5.
Anionic
surfactants
Limitations:
If
the
acute
or
chronic
toxicity
of
linear
alkyl
benzene
sulfonates
which
vary
only
in
carbon
chain
length
are
to
be
estimated,
then
the
weighted
average
of
carbons
in
the
alkyl
chains
(excluding
the
aromatic
benzene
ring)
has
to
be
determined.

References:
Nabholz
JV.
1985.
Standard
Environmental
Hazard
Assessment
of
PMNs
85­
1156/
1163.
Intra­
agency
memorandum
to
O.
Gutenson,
Chemical
Review
and
Evaluation
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency,
Washington,
DC
20460­
0001.
August.
SURFACTANTS,
ANIONIC
9/
1993
251
LIST
OF
ANIONIC
SURFACTANTS
USED
TO
DEVELOP
THE
FISH
LC50
SAR.
______________________________________________________________________________
Number
ofFish
LC50
Carbons
(mg/
L)
______________________________________________________________________________
10
21.2
­
47.5
11
11.6
12
1.18
­
6.5
13
1.11
14
0.25
­
0.42
16
0.087
18
0.38
_____________________________________________________________________________
SURFACTANTS,
ANIONIC
9/
1993
252
SAR
SURFACTANTS,
ANIONIC
Organism:
Daphnid
Duration:
48­
h
and
21­
d
NEC
Endpoint:
LC50
and
NEC
Equation:
Determine
the
average
length
of
the
carbon
chain
to
the
nearest
tenth
and
use
the
fish
96­
h
LC50
SAR
equation:

Log
LC50
(mg/
L)
=
[(
ave.
no.
of
carbons
­16)
2
­
10.643]/
12.9346
The
daphnid
21­
d
no
effect
concentration
(NEC,
GMATC,
or
chronic
value)
can
be
estimated
by
dividing
the
estimated
acute
value
derived
above
by
6.5.

Statistics:
N
=
14;
R
2
=
0.624
Maximum
Value:
carbon
chain
length
of
18
carbons
Minimum
Value:
carbon
chain
length
of
10
carbons
Application:
These
SARs
may
be
used
for
the
following
classes
of
compounds:

1.
Alkyl
benzene
sulfonates
2.
Alkyl
sulfonates
3.
Amphoteric
surfactants
with
a
sulfonate,
phosphonate,
or
carboxylate
terminus
4.
Anionic
surfactants
terminated
with
phosphates
5.
Anionic
surfactants
Limitations:
If
the
acute
or
chronic
toxicity
of
linear
alkyl
benzene
sulfonates
which
vary
only
in
carbon
chain
length
are
to
be
estimated,
then
the
weighted
average
of
carbons
in
the
alkyl
chains
(excluding
the
aromatic
benzene
ring)
have
to
be
determined.

References:
Nabholz
JV.
1985.
Standard
Environmental
Hazard
Assessment
of
PMNs
85­
1156/
1163.
Intra­
agency
memorandum
to
O.
Gutenson,
Chemical
Review
and
Evaluation
Branch,
Health
and
Environmental
Review
Division
(TS­
796),
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency,
Washington,
DC
20460­
0001.
August.
SURFACTANTS,
ANIONIC
9/
1993
253
LIST
OF
ANIONIC
SURFACTANTS
USED
TO
DEVELOP
THE
DAPHNID
LC50
SAR.
______________________________________________________________________________
Number
of
Daphnid
LC50
Carbons
(mg/
L)
______________________________________________________________________________
10
29.55
11
21.15
12
5.88
13
2.63
14
0.68
16
0.11
18
0.12
_____________________________________________________________________________
SURFACTANTS,
ANIONIC
9/
1993
254
SAR
SURFACTANTS,
ANIONIC
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
and
NEC
(Growth)

Equation:
Determine
the
average
length
of
the
carbon
chain
to
the
nearest
tenth
and
use
the
SAR
equation:

Log
EC50
(mg/
L)
=
[(
ave.
no.
of
carbons
­
16)
2
­
42.466]/
12.368
The
green
algae
96­
h
no
effect
concentration
(NEC,
GMATC,
or
chronic
value)
can
be
estimated
by
dividing
the
estimated
EC50
value
by
1.4.

Statistics:
N
=
14;
R
2
=
0.89
Maximum
Value:
carbon
chain
length
of
18
carbons
Minimum
Value:
carbon
chain
length
of
10
carbons
Maximum
MW:

Application:
These
SARs
may
be
used
for
the
following
classes
of
compounds:

1.
Alkyl
benzene
sulfonates
2.
Alkyl
sulfonates
3.
Amphoteric
surfactants
with
a
sulfonate,
phosphonate,
or
carboxylate
terminus
4.
Anionic
surfactants
terminated
with
phosphates
5.
Anionic
surfactants
Limitations:
If
the
toxicity
of
linear
alkyl
benzene
sulfonates
which
vary
only
in
carbon
chain
length
are
to
be
estimated,
then
the
weighted
average
of
carbons
in
the
alkyl
chains
(excluding
the
aromatic
benzene
ring)
have
to
be
determined.

References:
Nabholz
JV.
1987.
Predicting
the
algal
96­
h
EC50
from
the
daphnid
and
fish
SAR
for
LAS's.
Intra­
agency
memorandum
to
"Whom
It
May
Concern."
Washington,
DC:
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency,
Washington,
DC,
20460­
0001.
SURFACTANTS,
ANIONIC
9/
1993
255
DATA
FOR
A
C8
ANIONIC
SURFACTANT
USED
TO
DEVELOP
THE
GREEN
ALGAE
SAR.

_______________________________________________________________________________
EC50
EC10
Organism
(mg/
L)
(mg/
L)

_______________________________________________________________________________

Algae
12
8.5
Fish
366
Daphnid
289
_______________________________________________________________________________
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL
9/
1993
256
SAR
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL
Organism:
Fish
Duration:
Acute
Endpoint:
LC50
(Mortality)

Equation:
Determine
the
average
number
of
carbons
in
the
hydrophobic
alkyl
chain
of
the
surfactant.
If
the
average
length
of
the
carbon
chain
is
between
16
and
24
carbons,
use
the
SAR
equation:

Log
LC50
(mg/
L)
=
­0.0918
+
0.023
(average
length
of
carbon
chain)

If
the
length
of
the
carbon
chain
is
at
least
10
but
less
than
16,
use
the
SAR
equation:

Log
LC50
(mg/
L)
=
5.43
­
0.37
(average
length
of
carbon
chain)

Maximum
Value:
average
carbon
chain
length
of
24
carbons
Minimum
Value:
average
carbon
chain
length
of
10
carbons
Application:
This
SAR
may
be
applied
to
monoalkyl
(trimethyl)
quaternary
ammonium
surfactants
which
are
dispersible
in
water.
This
SAR
may
be
used
to
estimate
toxicity
for:

1.
monoalkyl
cationic
surfactants
2.
monoalkyl
phosphonium
surfactants
3.
monoalkyl
sulfonium
surfactants
Limitations:
This
SAR
may
be
used
for
monoalkyl
quaternary
ammonium
surfactants
where
the
anionic
salt
has
less
than
8
carbons
in
the
alkyl
chain.
If
the
alkyl
chain
contains
8
or
more
carbons,
the
cationic
surfactant
and
the
anionic
surfactant
will
form
a
strong
ion
pair.
This
ion
pair
will
be
much
less
soluble
in
water
and
consequently
will
be
less
toxic
to
fish.

References:
Nabholz
JV.
1987.
The
SAR
for
monoalkyl
(trimethyl)
quaternary
ammonium
surfactants.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.

Knauf
W.
1973.
Summary
of
the
toxicity
of
surfactants
to
aquatic
organisms.
Tenside
Detergents
5:
251­
255.
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL
9/
1993
257
LIST
OF
MONOALKYL­
TRIMETHYL­
AMMONIUM
CHLORIDE
SURFACTANTS
USED
TO
DEVELOP
THE
SAR
FOR
QUATERNARY
AMMONIUM
SURFACTANTS
FOR
FISH
____________________________________________________________________________________
____
Number
of
Acute
LC50
Carbons
Species
Tested
(mg/
L)
____________________________________________________________________________________
____

10
Golden
orfe
68
12
Golden
orfe
9.0
14
Golden
orfe
2.1
16
Golden
orfe
0.36
18
Golden
orfe
0.41
21
Golden
orfe
0.42
____________________________________________________________________________________
____
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL
9/
1993
258
SAR
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOAKYL
Organism:
Daphnid
Duration:
Acute
Endpoint:
LC50
(Mortality)

Equation:
Determine
the
average
number
of
carbons
in
the
hydrophobic
alkyl
chain
of
the
surfactant.
If
the
average
length
of
the
carbon
chain
is
between
16
and
22
carbons,
use
the
SAR
equation:

Log
LC50
(mg/
L)
=
­1.64
+
0.115
(average
length
of
carbon
chain)

If
the
length
of
the
carbon
chain
is
at
least
10
but
less
than
16,
use
the
SAR
equation:

Log
LC50
(mg/
L)
=
2.07
­
0.13
(average
length
of
carbon
chain)

Maximum
Value:
average
carbon
chain
length
of
22
carbons
Minimum
Value:
average
carbon
chain
length
of
10
carbons
Application:
This
SAR
may
be
applied
to
monoalkyl
(trimethyl)
quaternary
ammonium
surfactants
which
are
dispersible
in
water.
This
SAR
may
be
used
to
estimate
toxicity
for:

1.
monoalkyl
cationic
surfactants
2.
monoalkyl
phosphonium
surfactants
3.
monoalkyl
sulfonium
surfactants
Limitations:
This
SAR
may
be
used
for
monoalkyl
quaternary
ammonium
surfactants
where
the
anionic
salt
has
less
than
8
carbons
in
the
alkyl
chain.
If
the
alkyl
chain
contains
8
or
more
carbons,
the
cationic
surfactant
and
the
anionic
surfactant
will
form
a
strong
ion
pair.
This
ion
pair
will
be
much
less
soluble
in
water
and
consequently
will
be
less
toxic
to
daphnids.

References:
Nabholz
JV.
1987.
The
SAR
for
monoalkyl
(trimethyl)
quaternary
ammonium
surfactants.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.

Knauf
W.
1973.
Summary
of
the
toxicity
of
surfactants
to
aquatic
organisms.
Tenside
Detergents
5:
251­
255.
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL
9/
1993
259
LIST
OF
MONOALKYL­
TRIMETHYL­
AMMONIUM
CHLORIDE
SURFACTANTS
USED
TO
DEVELOP
THE
SAR
FOR
QUATERNARY
AMMONIUM
SURFACTANTS
FOR
DAPHNIDS
____________________________________________________________________________________
____
Number
of
Acute
LC50
Carbons
Species
Tested
(mg/
L)
____________________________________________________________________________________
____

10
Daphnia
magna
7.0
12
Daphnia
magna
3.2
14
Daphnia
magna
1.7
16
Daphnia
magna
1.2
18
Daphnia
magna
3.2
21
Daphnia
magna
6.0
____________________________________________________________________________________
____
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL
9/
1993
260
SAR
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL
Organism:
Snail
Duration:
Acute
Endpoint:
LC50
(Mortality)

Equation:
Determine
the
average
number
of
carbons
in
the
hydrophobic
alkyl
chain
of
the
surfactant.
If
the
average
length
of
the
carbon
chain
is
between
16
and
22
carbons,
use
the
SAR
equation:

Log
LC50
(mg/
L)
=
­1.56
+
0.087
(average
length
of
carbon
chain)

If
the
length
of
the
carbon
chain
is
at
least
10
but
less
than
16,
use
the
SAR
equation:

Log
LC50
(mg/
L)
=
5.74
­
0.37
(average
length
of
carbon
chain)

Maximum
Value:
carbon
chain
length
of
22
carbons
Minimum
Value:
carbon
chain
length
of
10
carbons
Application:
This
SAR
may
be
applied
to
monoalkyl
(trimethyl)
quaternary
ammonium
surfactants
which
are
dispersible
in
water.
This
SAR
may
be
used
to
estimate
toxicity
for:

1.
monoalkyl
cationic
surfactants
2.
monoalkyl
phosphonium
surfactants
3.
monoalkyl
sulfonium
surfactants
Limitations:
This
SAR
may
be
used
for
monoalkyl
quaternary
ammonium
surfactants
where
the
anionic
salt
has
less
than
8
carbons
in
the
alkyl
chain.
If
the
alkyl
chain
contains
8
or
more
carbons,
the
cationic
surfactant
and
the
anionic
surfactant
will
form
a
strong
ion
pair.
This
ion
pair
will
be
much
less
soluble
in
water
and
consequently
will
be
less
toxic
to
snails.

References:
Nabholz
JV.
1987.
The
SAR
for
monoalkyl
(trimethyl)
quaternary
ammonium
surfactants.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.

Knauf
W.
1973.
Summary
of
the
toxicity
of
surfactants
to
aquatic
organisms.
Tenside
Detergents
5:
251­
255.
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
MONOALKYL
9/
1993
261
LIST
OF
MONOALKYL­
TRIMETHYL­
AMMONIUM
CHLORIDE
SURFACTANTS
USED
TO
DEVELOP
THE
SAR
FOR
QUATERNARY
AMMONIUM
SURFACTANTS
FOR
SNAILS
____________________________________________________________________________________
____
Number
of
Acute
LC50
Carbons
Species
Tested
(mg/
L)
____________________________________________________________________________________
____

10
Water
snail
100
12
Water
snail
23
14
Water
snail
3.5
16
Water
snail
0.7
18
Water
snail
1.0
21
Water
snail
1.9
____________________________________________________________________________________
____
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
DIALKYL
9/
1993
262
SAR
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
DI­
ALKYL
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
and
ChV
(Mortality)

Equation:
Calculate
the
average
log
Kow
for
the
two
alkyl
groups
and
use
the
average
value
in
the
SAR
equation:

Log
96­
h
LC50
(mM/
L)
=
0.747
­
0.367
log
Kow
To
determine
the
chronic
toxicity
value
(ChV)
of
a
di­
alkyl
quaternary
ammonium
surfactant
to
fish,
divide
the
96­
hour
LC50
value
by
26.

Statistics:
N
=
6;
R
2
=
0.9
Maximum
Value:
There
are
no
limits
on
the
log
Kow
values.

Maximum
MW:
There
are
no
limits
on
the
molecular
weight
of
the
two
alkyl
groups
of
the
cationic
surfactant.

Application:
This
SAR
may
be
applied
to
cationic
dialkyl
(dimethyl)
quaternary
ammonium
surfactants
which
are
dispersible
in
water.
This
SAR
may
be
used
to
estimate
toxicity
for:

1.
dialkyl
cationic
surfactants
2.
dialkyl
phosphonium
surfactants
3.
dialkyl
sulfonium
surfactants
Limitations:
None.

References:
FDA.
Unpublished
data.

ITC.
IR­
488.

USEPA.
ECOTOX
database.
P85­
505
Standard
Review.
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
DIALKYL
9/
1993
263
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
DIALKYL
9/
1993
264
SAR
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
DI­
ALKYL
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
AND
ChV
(Mortality)

Equation:
Calculate
the
average
log
Kow
for
the
two
alkyl
groups
and
use
the
average
value
in
the
SAR
equation:

Log
48­
h
LC50
(mM/
L)
=
0.874
­
0.462
log
Kow
To
determine
the
chronic
toxicity
value
(ChV)
of
a
di­
alkyl
quaternary
ammonium
surfactant
to
daphnids,
divide
the
48­
hour
LC50
value
by
1.8.

Statistics:
N
=
4;
R
2
=
0.94
Maximum
Value:
There
are
no
limits
on
the
log
Kow
values
of
the
two
alkyl
groups
of
the
cationic
surfactant.

Maximum
MW:
There
are
no
limits
on
the
molecular
weight
of
the
two
alkyl
groups
of
the
cationic
surfactant.

Application:
This
SAR
may
be
applied
to
cationic
dialkyl
(dimethyl)
quaternary
ammonium
surfactants
which
are
dispersible
in
water.
This
SAR
may
be
used
to
estimate
toxicity
for:

1.
dialkyl
cationic
surfactants
2.
dialkyl
phosphonium
surfactants
3.
dialkyl
sulfonium
surfactants
Limitations:
None.

References:
FDA.
Unpublished
data.

ITC.
IR­
488.

EPA.
ECOTOX
database.
P85­
505
Standard
Review.
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
DIALKYL
9/
1993
265
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
DIALKYL
9/
1993
266
SAR
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
DI­
ALKYL
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
and
ChV
Equation:
Calculate
the
average
log
Kow
for
the
two
alkyl
groups
and
use
the
average
value
in
the
SAR
equation:

Log
96­
h
EC50
(mM/
L)
=
­0.595
­
0.296
log
Kow
To
determine
the
chronic
toxicity
value
(ChV)
of
a
di­
alkyl
quaternary
ammonium
surfactant
to
green
algae,
divide
the
96­
hour
EC50
value
by
4.

Statistics:
N
=
3;
R
2
=
0.99
Maximum
Value:
There
are
no
limits
on
the
log
Kow
values
of
the
two
alkyl
groups
of
the
cationic
surfactant.
Maximum
MW:
There
are
no
limits
on
the
molecular
weight
of
the
two
alkyl
groups
of
the
cationic
surfactant.

Application:
This
SAR
may
be
applied
to
cationic
dialkyl
(dimethyl)
quaternary
ammonium
surfactants
which
are
dispersible
in
water.
This
SAR
may
be
used
to
estimate
toxicity
for:

1.
dialkyl
cationic
surfactants
2.
dialkyl
phosphonium
surfactants
3.
dialkyl
sulfonium
surfactants
Limitations:
None.

References:
FDA.
Unpublished
data.

ITC.
IR­
488.

EPA.
ECOTOX
database.
P85­
505
Standard
Review.
SURFACTANTS,
CATIONIC,
QUATERNARY
AMMONIUM,
DIALKYL
9/
1993
267
SURFACTANTS,
NONIONIC
9/
1993
268
SAR
SURFACTANTS,
NONIONIC
Organism:
Fish
and
Daphnid
Duration:
96­
h,
48­
h
Endpoint:
LC50
(Mortality)
in
mg/
L
Equation:
Determine
the
number
of
carbons
in
the
alkyl
chains
and
the
number
of
ethoxylate
groups
in
the
surfactant.
Determine
the
toxicity
using
the
appropriate
SAR
equation
based
on
the
length
of
the
carbon
chain:

C
=
8;
Log
LC50
=
0.952
+
0.130
(number
of
ethoxylates)

C
=
9;
Log
LC50
=
0.796
+
0.120
(number
of
ethoxylates)

C
=
10;
Log
LC50
=
0.642
+
0.112
(number
of
ethoxylates)

C
=
11;
Log
LC50
=
0.261
+
0.103
(number
of
ethoxylates)

C
=
12;
Log
LC50
=
­0.204
+
0.0996
(number
of
ethoxylates)

C
=
13;
Log
LC50
=
­0.388
+
0.092
(number
of
ethoxylates)

C
=
14;
Log
LC50
=
­0.480
+
0.0847
(number
of
ethoxylates)

C
=
15;
Log
LC50
=
­0.533
+
0.0776
(number
of
ethoxylates)

C
=
16;
Log
LC50
=
­0.775
+
0.072
(number
of
ethoxylates)

C
=
17;
Log
LC50
=
­1.054
+
0.0674
(number
of
ethoxylates)

C
=
18;
Log
LC50
=
­1.290
+
0.063
(number
of
ethoxylates)

Statistics:

Maximum
Value:
Maximum
carbon
chain
length
of
18;
minimum
carbon
chain
length
of
8;
the
maximum
number
of
ethoxylates
is
55.

Application:
This
SAR
may
be
used
to
estimate
the
toxicity
for
the
following
classes
of
nonionic
surfactants:

1.
Alcohol
ethoxylate
surfactants
2.
Alkyl
ethoxylate
surfactants
3.
Nonionic
surfactants
Generally,
this
SAR
is
expected
to
be
applicable
to
other
nonionic
surfactants,
such
as
alcohol
ethoxlyate­
propoxylate
surfactants
where
number
of
ethoxylates
is
greater
than
tje
mumber
of
propoxylates.
SURFACTANTS,
NONIONIC
9/
1993
269
Limitations:
When
the
number
of
ethoxylates
is
less
than
5,
chemicals
may
begin
to
act
less
like
surfactants
and
more
like
neutral
organic
chemicals.
Alcohol
propoxylates
and
alcohol
butoxylates
will
not
act
like
surfactants;
the
propoxylate
and
butoxylate
units
are
not
water
soluble
enough.
Alcohol
propoxylates
and
alcohol
butoxylates
should
be
treated
like
neutral
organic
chemicals.

References:
Nabholz
JV.
1988.
The
structure­
activity
relationships
between
nonionic
surfactants.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.
SURFACTANTS,
NONIONIC
9/
1993
270
LIST
OF
NONIONIC
SURFACTANTS
USED
TO
DEVELOP
FISH
96­
h
AND
DAPHNID
48­
H
LC50
SARS.
____________________________________________________________________________________
____
Number
of
Number
of
Time
LC50
Carbons
Ethoxylates
Species
(hours)
(mg/
L)
____________________________________________________________________________________
____
8
12.0
Golden
orfe
96
465.0
10
2.5
Rainbow
trout
96
5­
7
10
5.0
Rainbow
trout
96
8­
9
12
6.0
Fish
spp.
96
2.8
12
9.0
Fish
spp.
96
5.4
12
12.0
Fish
spp.
96
4.4
12
12.0
Golden
orfe
96
4.4
12
15.0
Fish
spp.
96
22.0
12.5
2.0
Rainbow
trout
96
1­
2
12.5
5.3
Rainbow
trout
96
1.0
12.5
6.5
Daphnia
24
1.05
12.5
6.5
Rainbow
trout
96
2.36
12.5
6.5
Bluegill
96
0.57
12.5
6.5
Daphnia
24
0.57
12.5
6.5
Daphnia
96
1.14
13
6.3
Fathead
minnow
24
1.8
13
6.3
Goldfish
24
1.4
13
6.3
Daphnia
48
2.4
13
7.4
Fathead
minnow
24
1.8
13
7.4
Goldfish
24
1.4
13
7.4
Daphnia
24
2.3
13
8.0
Goldfish
48
1.4
13
8.0
Harlequin
fish
48
1.2
13
8.0
Golden
orfe
96
1.8
13
8.0
Rainbow
trout
96
0.8
13
8.0
Golden
orfe
96
2.7
13
10.5
Harlequin
fish
96
1.6­
2.8
13
10.5
Rainbow
trout
96
1.8
13
10.5
Rainbow
trout
96
0.8
13
10.5
Golden
orfe
96
4.1
13
10.5
Golden
orfe
96
4.1
13
10.5
Goldfish
48
3.0
13
11.0
Golden
orfe
48
2.7
13
11.0
Daphnia
24
5.1
13
11.0
Rainbow
trout
48
6.2
13.5
3.0
Blugill
96
1.5
13.5
3.0
Rainbow
trout
96
1.3­
1.7
13.5
3.0
Rainbow
trout
96
3.9
13.5
7.0
Rainbow
trout
96
2.7
13.5
9.0
Bluegill
96
2.1
13.5
9.0
Bluegill
96
11.0
13.5
9.0
Channel
catfish
96
1.2
13.5
9.0
Daphnia
24
1.71
SURFACTANTS,
NONIONIC
9/
1993
271
Continued.
____________________________________________________________________________________
____
Number
of
Number
of
Time
LC50
Carbons
Ethoxylates
Species
(hours)
(mg/
L)
____________________________________________________________________________________
____
13.5
9.0
Bluegill
96
7.8
17
14.0
Minnow
24
3.4
17
14.0
Rainbow
trout
96
0.4
17
14.0
Golden
orfe
96
2.3
17
14.0
Golden
orge
96
2.5
17
14.0
Harlequin
fish
96
0.7
____________________________________________________________________________________
___
SURFACTANTS,
ETHOMEEN
9/
1993
272
SAR
SURFACTANTS,
ETHOMEEN
Organism:
Fish,
Daphnid,
and
Algae
Duration:
96­
h,
48­
h,
and
96­
h
Endpoint:
LC50,
LC50,
and
EC50
(Mortality)
in
mg/
L
Equation:
Determine
the
number
of
carbons
in
the
alkyl
chains
and
the
number
of
ethoxylate
groups
in
the
surfactant.
Determine
the
toxicity
using
the
appropriate
SAR
equation
based
on
the
length
of
the
carbon
chain:

C
=
8;
Log
LC50
=
1.022
+
0.122
(number
of
ethoxylates)

C
=
9;
Log
LC50
=
0.794
+
0.116
(number
of
ethoxylates)

C
=
10;
Log
LC50
=
0.553
+
0.112
(number
of
ethoxylates)

C
=
11;
Log
LC50
=
0.335
+
0.104
(number
of
ethoxylates)

C
=
12;
Log
LC50
=
0.107
+
0.098
(number
of
ethoxylates)

C
=
13;
Log
LC50
=
­0.102
+
0.092
(number
of
ethoxylates)

C
=
14;
Log
LC50
=
­0.348
+
0.086
(number
of
ethoxylates)

C
=
15;
Log
LC50
=
­0.566
+
0.079
(number
of
ethoxylates)

C
=
16;
Log
LC50
=
­0.706
+
0.074
(number
of
ethoxylates)

C
=
17;
Log
LC50
=
­1.057
+
0.069
(number
of
ethoxylates)

C
=
18;
Log
LC50
=
­1.316
+
0.063
(number
of
ethoxylates)

Maximum
Value:
18
carbons
in
the
alkyl
chain;
55
ethoxylates
Maximum
MW:

Application:
This
SAR
may
be
used
to
estimate
the
toxicity
of
ethomeen
surfactants
(i.
e.,
ethoxylated
beta­
amine
surfactants)
with
a
carboxylic
acid
terminus.

Limitations:
None.

References:
Nabholz
JV.
1986.
The
structure­
activity
relationships
between
nonionic
surfactants.
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Toxic
Substances,
United
States
Environmental
Protection
Agency.
SURFACTANTS,
ETHOMEEN
9/
1993
273
THIAZOLINONES,
ISO
9/
1993
274
SAR
THIAZOLINONES,
ISO
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
­2.159
­
0.068
log
Kow
Statistics:
N
=
2;
R
2
=1.0
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
isothiazolinones
or
allyl
thioamides.

Limitations:
If
the
log
Kow
value
is
greater
tah
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1993.
OPPT
PMN
ECOTOX.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
USEPA.

LIST
OF
ISOTHIAZOLINONES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR
____________________________________________________________________________________
____
96­
H
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____

Chemical
identity
CBI
0.90
0.6
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1993);
chemical
identity
is
Confidential
Business
Information
under
TSCA.
THIAZOLINONES,
ISO
9/
1993
275
THIAZOLINONES,
ISO
9/
1993
276
SAR
THIAZOLINONES,
ISO
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
­2.0
­
0.159
log
Kow
Statistics:
N
=
2;
R
2
=1.0
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
isothiazolinones
or
allyl
thioamides.

Limitations:
If
the
log
Kow
value
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1993.
OPPT
PMN
ECOTOX.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
USEPA.

LIST
OF
ISOTHIAZOLINONES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR
____________________________________________________________________________________
____
96­
H
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____

Chemical
identity
CBI
1.2
0.6
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1993);
chemical
identity
is
Confidential
Business
Information
under
TSCA.
THIAZOLINONES,
ISO
9/
1993
277
THIAZOLINONES,
ISO
9/
1993
278
SAR
THIAZOLINONES,
ISO
Organism:
Green
Algae
Duration:
96­
h
Endpoint:
EC50
Equation:
Log
LC50
(mM/
L)
=
­2.555
­
0.241
log
Kow
Statistics:
N
=
2;
R
2
=1.0
Maximum
log
Kow
:
6.4
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
isothiazolinones
or
allyl
thioamides.

Limitations:
If
the
log
Kow
value
is
greater
than
6.4,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1993.
OPPT
PMN
ECOTOX.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
USEPA.

LIST
OF
ISOTHIAZOLINONES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR
____________________________________________________________________________________
____
96­
H
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____

Chemical
identity
CBI
0.290
0.6
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1993);
chemical
identity
is
Confidential
Business
Information
under
TSCA.
THIAZOLINONES,
ISO
9/
1993
279
THIAZOLINONES,
ISO
9/
1993
280
SAR
THIAZOLINONES,
ISO
Organism:
Green
Algae
Duration:
Endpoint:
Chronic
Value
Equation:
Log
LC50
(mM/
L)
=
­2.938
­
0.270
log
Kow
Statistics:
N
=
2;
R
2
=1.0
Maximum
log
Kow
:
8.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
isothiazolinones
or
allyl
thioamides.

Limitations:
If
the
log
Kow
value
is
greater
than
8.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
no
effects
expected
at
saturation.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1993.
OPPT
PMN
ECOTOX.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
USEPA.

LIST
OF
ISOTHIAZOLINONES
USED
TO
DEVELOP
THE
FISH
96­
h
LC50
SAR
____________________________________________________________________________________
____
96­
H
LC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____

Chemical
identity
CBI
0.130
0.6
EPA
____________________________________________________________________________________
____

EPA
=
USEPA
(1993);
chemical
identity
is
Confidential
Business
Information
under
TSCA.
THIAZOLINONES,
ISO
9/
1993
281
THIOLS
AND
MERCAPTANS
9/
1993
282
SAR
THIOLS
AND
MERCAPTANS
Organism:
Fish
Duration:
96­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
­1.022
­
0.447
log
Kow
Statistics:
N
=
4;
R
2
=
0.85
Maximum
log
Kow
:
6.5
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
the
toxicity
for
thiols
and
mercaptans.
Thiols
with
a
carboxylic
acid
substitution
will
be
about
10
times
less
toxic
than
the
toxicity
value
predicted
by
using
this
SAR
with
a
log
Kow
and
molecular
weight
for
the
free
acid.
Therefore,
for
thiols
with
a
carboxylic
acid
substitution,
predict
the
toxicity
values
for
the
free
acid
and
multiply
by
10.

Limitations:
For
thiols
with
log
Kow
values
greater
than
4.5,
the
toxicity
prediction
may
only
apply
to
rainbow
trout
and
other
cold
water
fish
species.
While
a
96­
h
LC50
value
was
measured
for
t­
dodecane
thiol
(log
Kow
=
6.2),
nonylthiol
(log
Kow
=
4.9)
showed
no
toxicity
at
saturation
with
fathead
minnows.
The
recommended
species
for
testing
thiols
with
log
Kow
values
greater
than
4.5
is
rainbow
trout
using
flow­
through
methods,
measured
concentrations,
and
treatment
concentrations
which
do
not
exceed
the
aqueous
solubility
limit
of
the
thiol
being
tested.

If
the
log
Kow
value
is
greater
than
6.5,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
Bender
ME.
1969.
The
toxicity
of
the
hydrolysis
and
breakdown
products
of
malathion
to
the
fathead
minnow
Pimephales
promelas,
Rafinesque.
Water
Research
3:
571­
582.

U.
S.
Environmental
Protection
Agency.
1991.
Toxicity
of
data
gap
compounds
to
fathead
minnow
(Pimephales
promelas)
and
daphnids
(Daphnia
magna).
Duluth,
MN:
Environmental
Research
Laboratory,
Office
of
Research
and
Development,
USEPA.

U.
S.
Environmental
Protection
Agency.
1992.
TSCA
Sec.
8(
e)
submission
number
994.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
USEPA.

Verschueren
K.
1983.
Handbook
of
environmental
data
on
organic
chemicals.
2nd
ed.
New
York,
NY:
Van
Nostrand
Reinhold
Co.
THIOLS
AND
MERCAPTANS
9/
1993
283
THIOLS
AND
MERCAPTANS
9/
1993
284
SAR
THIOLS
AND
MERCAPTANS
Organism:
Daphnid
Duration:
48­
h
Endpoint:
LC50
(Mortality)

Equation:
Log
LC50
(mM/
L)
=
­3.2
­
0.097
log
Kow
Statistics:
N
=
3;
R
2
=
0.46
Maximum
log
Kow
:
5.0
Maximum
MW:
1000.0
Application:
This
equation
may
be
used
to
estimate
the
toxicity
for
thiols
and
mercaptans.

Limitations:
If
the
log
Kow
is
greater
than
5.0,
or
if
the
compound
is
solid
and
the
LC50
exceeds
the
water
solubility,
use
SAR
with
longer
exposure.

References:
U.
S.
Environmental
Protection
Agency.
1991.
Toxicity
of
data
gap
compounds
to
fathead
minnows
(Pimephales
promelas)
and
daphnids
(Daphnia
magna).
Duluth,
MN:
Environmental
Research
Laboratory,
Office
of
Research
and
Development,
USEPA.

U.
S.
Environmental
Protection
Agency.
1992.
TSCA
Sec.
8(
e)
submission
number
994.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
USEPA.
THIOLS
AND
MERCAPTANS
9/
1993
285
THIOLS
AND
MERCAPTANS
9/
1993
286
SAR
TRIAZINES,
SUBSTITUTED
For
fish
and
daphnid
use
SAR
for
NEUTRAL
ORGANICS;

This
category
includes
substituted
triazines
which
can
be
aromatic,
partially
aromatic
(or
partially
saturated),
and
unsaturated.
The
nitrogens
in
the
triazine
ring
may
be
symmetrical
or
asymmetrical.
Substitutions
on
the
carbons
may
include
but
not
be
limited
to:
aliphatic
alcohols;
ketones;
benzene
and
substituted
benzenes;
aliphatic
hydrocarbons,
alkyenes
and
alkynes;
free
amines
and
substituted
amines;
cyclic
aliphatic
hydrocarbons;
halogens;
amides;
cyanides;
ethers;
methoxy
groups;
sulfides;
azido
groups;
and
carboxylic
acid
esters.
Substitutions
on
the
nitrogens
may
include
but
not
be
limited
to:
free
amines
and
substituted
amines;
­N=
CH;
aliphatic
hydrocarbons,
alkyenes
and
alkynes;
and
benzene
and
substituted
benzenes.
Hazard
Concerns:
many
members
of
this
category
are
commercial
herbicides
which
are
used
to
control
both
aquatic
plants
and
terrestrial
plants.
Their
mode
of
toxic
action
is
generally
considered
to
be
inhibition
of
photosynthesis.
Many
members
of
this
class
are
toxic
to
algae
at
<
1
mg/
L
and
toxic
to
terrestrial
vascular
plants
at
<
1
mg/
kg.
Members
of
this
group
can
also
be
highly
toxic
to
fish
and
aquatic
invertebrates.
Toxicity
is
expected
to
be
related
to
the
octanol/
water
partition
coefficient
with
respect
to
fish
and
aquatic
invertebrates,
but
toxicity
to
plants
may
not
be
related
to
Kow
when
log
Kow
<
5.
When
the
log
Kow
is
<
5,
algae
and
terrestrial
plants
are
expected
to
be
the
most
sensitive
species.
As
log
Kow
increases,
species
differences
are
expected
to
diminish.
At
this
time
there
is
no
formalized
SAR
for
this
category
for
any
species.
Toxicity
predictions
will
be
made
using
either
the
closest
analog
or
averaging
data
for
the
two
closest
analogs
which
bracket
the
chemical
under
question.
TRIAZINES,
SUBSTITUTED
9/
1993
287
UREAS,
SUBSTITUTED
9/
1993
288
SAR
UREAS,
SUBSTITUTED
Organism:
Algae
Duration:
4­
h
Endpoint:
EC50
(Inhibition
of
Photosynthesis)

Equation:
Log
EC50
(mM/
L)
=
­1.29
log
Kow
+
0.133
Statistics:
N
=
12;
R
2
=
0.944
Maximum
log
Kow
:
3.9
Maximum
MW:
1000.0
Application:
This
SAR
may
be
used
to
estimate
the
toxicity
for
substituted
ureas.

Limitations:
If
the
log
Kow
value
is
greater
than
3.9
and
less
than
7.9,
use
SAR
with
longer
exposure.
If
the
log
Kow
value
is
greater
than
8.0,
no
effects
expected
at
saturation.

References:
Wessels
JSC
and
Van
Der
Veen
R.
1956.
The
action
of
some
derivatives
of
phenylurethan
and
of
3­
phenyl­
1,1­
dimethylurea
on
the
Hill
reaction.
Biochem.
Biophys.
Acta
19.

Hansch
C.
1969.
Theoretical
considerations
of
the
structure­
activity
relationship
in
photosynthesis
inhibitors.
In:
Progress
in
Photosynthesis
Research,
Vol.
III.
Metzner
H,
ed.
pp.
1685­
1692.
UREAS,
SUBSTITUTED
9/
1993
289
LIST
OF
SUBSTITUTED
UREAS
USED
TO
DEVELOP
THE
ALGAE
4­
h
EC50
SAR.
____________________________________________________________________________________
____
4­
h
EC50
Log
Ref.
CHEMICAL
(mg/
L)
Kow
____________________________________________________________________________________
____
Ethyl­
N­
phenylcarbamate
(phenylurethan)
5x10
­4
*
Ethyl­
N­(
3­
chlorophenyl)­
carbamate
10­
4
*
Ethyl­
N­(
4­
chlorophenyl)­
carbamate
10
­4
*
Ethyl­
N­(
4­
nitrophenyl)­
carbamate
2x10
­4
*
Allyl­
N­
phenylcarbamate
5x10
­4
*
Allyl­
N­(
4­
chlorophenyl)­
carbamate
8x10
­5
*
Ethyl­
N­(
3,4­
dichlorophenyl)­
carbamate
2x10
­5
*
Ethyl­
N­(
2,5­
dichlorophenyl)­
carbamate
3x10
­4
*
Benzyl­
N­
phenylcarbamate
2x10
­4
*
Ethyl­
N­(
4­
hydroxyphenyl)­
carbamate
3x10
­3
*
Ethyl­
N­(
3­
hydroxyphenyl)­
carbamate
10
­3
*
3­
Phenyl­
1,1­
dimethylurea
4x10
­5
*
3­(
4­
Chlorophenyl)­
1,1­
dimethylurea
(CMU)
4x10
­6
*
3­(
3­
Chlorophenyl)­
1,1­
dimethylurea
2x10
­6
*
3­(
3,4­
Dichlorophenyl)­
1,1­
dimethylurea
2x10
­7
*
3­(
3,4,5­
Trichlorophenyl)­
1,1­
dimethylurea
2x10
­7
*
3­(
4­
Nitrophenyl)­
1,1­
dimethylurea
8x10
­6
*
3­(
3­
Nitrophenyl)­
1,1­
dimethylurea
1.310
­5
*
3­(
4­
Trifluoromethylphenyl)­
1,1­
dimethylurea
4x10
­6
*
3­(
3­
Trifluoromethylphenyl)­
1,1­
dimethylurea
6x10
­4
*
4­(
3,3­
Dimethylureido)­
S­
trichloromethyl
phenyl­
thiosulfonate
4x10
­7
*
3­(
4­
Methylphenyl)­
1,1­
dimethylurea
3x10
­5
*
3­(
4­
Methoxyphenyl)­
1,1­
dimethylurea
3x10
­5
*
3­(
4­
Dimethylaminophenyl)­
1,1­
dimethylurea
2x10
­4
*
3­(
4­
Acetylaminophenyl)­
1,1­
dimethylurea
2x10
­3
*
____________________________________________________________________________________
____

*
=
Not
available
at
this
time.
290
INORGANICS
291
ALUMINUM
9/
1993
292
Organism:
Aquatic
life
(freshwater)
Duration:
96­
hour
Endpoint:
No
Observable
Effect
Concentration
(NOEC)

Equation:
NOEC
(mg/
L)
=
(0.087
@
MW)/
26.981
Application:
This
equation
may
be
used
to
estimate
the
acute
toxicity
of
organic
and
inorganic
compounds
containing
aluminum.

Limitations:
This
equation
is
based
on
the
pH
dependent
Ambient
Water
Quality
Criteria
for
aluminum.
The
criteria
for
pH
values
between
6.5
and
9.0
were
used.
If
the
pH
of
the
solution
is
less
than
6.5.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1980.
Ambient
Water
Quality
Criteria
for
Aluminum.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.

____________________________________________________________________________________
____

Organism:
Aquatic
Life
(freshwater)
Duration:
1­
hour
Endpoint:
No
Observable
Effect
Concentration
(NOEC)

Equation:
NOEC
(mg/
L)
=
(0.750
@
MW)/
26.981
Application:
This
equation
may
be
used
to
estimate
the
acute
toxicity
of
compounds
containing
aluminum.

Limitations:
This
equation
is
based
on
the
pH
dependent
Ambient
Water
Quality
Criteria
for
aluminum.
The
criteria
for
pH
values
between
6.5
and
9.0
were
used.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1980.
Ambient
Water
Quality
Criteria
for
Aluminum.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
ALUMINUM
9/
1993
293
ANTIMONY
9/
1993
294
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.088
@
MW)/
121.75
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
antimony.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.030
@
MW)/
121.75
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
antimony.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
ANTIMONY
9/
1993
295
ANTIMONY
9/
1993
296
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(1.5
@
MW)/
121.75
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
antimony.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.500
@
MW)/
121.75
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
antimony.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
ANTIMONY
9/
1993
297
ARSENIC(
III)
9/
1993
298
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.360
@
MW)/
74.92
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
arsenic(
III).

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.190
@
MW)/
74.92
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
arsenic(
III).

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
ARSENIC(
III)
9/
1993
299
ARSENIC(
III)
9/
1993
300
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.069
@
MW)/
74.92
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
arsenic(
III).

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.036
@
MW)/
74.92
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
arsenic(
III).

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
ARSENIC(
III)
9/
1993
301
BERYLLIUM
9/
1993
302
Organism:
Aquatic
life
(freshwater)
Duration:
Acute
Endpoint:
Lowest
Observable
Effect
Concentration
(LOEC)

Equation:
LOEC
(mg/
L)
=
(0.130
@
MW)/
9.012
Application:
This
equation
may
be
used
to
estimate
the
acute
toxicity
of
both
organic
and
inorganic
compounds
containing
beryllium.

Limitations:
Hardness
has
a
substantial
effect
on
acute
toxicity.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Regulations
and
Standards.
EPA
440/
5­
86­
001.

S))))))))))))))))))))))))))))))))))))))))))))))))))))))))))))))))))))))))))))
Q
Organism:
Aquatic
Life
(freshwater)
Duration:
Chronic
Endpoint:
Lowest
Observable
Effect
Concentration
(LOEC)

Equation:
LOEC
(mg/
L)
=
(0.0053
@
MW)/
9.012
Application:
This
equation
may
be
used
to
estimate
the
chronic
toxicity
of
both
organic
and
inorganic
compounds
containing
beryllium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Regulations
and
Standards.
EPA
440/
5­
86­
001.
BERYLLIUM
9/
1993
303
BORON
9/
1993
304
Organism:
Fish
(freshwater)
Duration:
48­
hour
Endpoint:
LC50
Equation:
LC50
(mg/
L)
=
(315.0
@
MW)/
10.81
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
boron.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.

____________________________________________________________________________________
____

Organism:
Daphnid
Duration:
48­
hour
Endpoint:
LC50
Equation:
LC50
(mg/
L)
=
(226.0
@
MW)/
10.81
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
boron.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
BORON
9/
1993
305
BORON
9/
1993
306
Organism:
Fish
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.05
@
MW)/
10.81
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
boron.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.

____________________________________________________________________________________
____

Organism:
Daphnid
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(8.37
@
MW)/
10.81
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
boron.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
BORON
9/
1993
307
CADMIUM
9/
1993
308
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.0039
@
MW)/
112.41
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
cadmium.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
cadmium.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.
For
a
solution
with
a
hardness
of
50
mg/
L
as
CaCO3
,
use
the
following
equation:

Acute
Value
(mg/
L)
=
(0.0018
@
MW)/
112.41
For
a
solution
with
a
hardness
of
200
mg/
L
as
CaCO3
,
use
the
following
equation:

Acute
Value
(mg/
L)
=
(0.0086
@
MW)/
112.41
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
CADMIUM
9/
1993
309
CADMIUM
9/
1993
310
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.0011
@
MW)/
112.41
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
cadmium.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
cadmium.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.
For
solutions
with
a
hardness
of
50
mg/
L
as
CaCO3
,
use
the
following
equation:

ChV
(mg/
L)
=
(0.00066
@
MW)/
112.41
For
solutions
with
a
hardness
of
200
mg/
L
as
CaCO3
,
use
the
following
equation:

ChV
(mg/
L)
=
(0.002
@
MW)/
112.41
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
CADMIUM
9/
1993
311
CADMIUM
9/
1993
312
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.043
@
MW)/
112.41
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
cadmium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.0093
@
MW)/
112.41
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
cadmium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
CADMIUM
9/
1993
313
CESIUM
9/
1993
314
Organism:
Daphnid
Duration:
48­
hour
Endpoint:
LC50
Equation:
LC50
(mg/
L)
=
(7.4
@
MW)/
132.9
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
cesium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
CESIUM
9/
1993
315
CHLORINE
9/
1993
316
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.019
@
MW)/
35.45
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
chlorine.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.011
@
MW)/
35.45
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
chlorine.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
CHLORINE
9/
1993
317
CHLORINE
9/
1993
318
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.013
@
MW)/
35.45
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
chlorine.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.0075
@
MW)/
35.45
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
chlorine.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
CHLORINE
9/
1993
319
COBALT
9/
1993
320
Organism:
Fish
(freshwater)
Duration:
96­
hour
Endpoint:
LC50
Equation:
LC50
(mg/
L)
=
(48.0
@
MW)/
58.933
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
cobalt.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.

____________________________________________________________________________________
____

Organism:
Daphnid
Duration:
48­
hour
Endpoint:
LC50
Equation:
LC50
(mg/
L)
=
(1.30
@
MW)/
58.933
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
cobalt.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
COBALT
9/
1993
321
COBALT
9/
1993
322
Organism:
Fish
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.0342
@
MW)/
58.933
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
cobalt.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.

____________________________________________________________________________________
____

Organism:
Daphnid
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.012
@
MW)/
58.933
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
cobalt.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
COBALT
9/
1993
323
COBALT
9/
1993
324
Organism:
Fish
(marine)
Duration:
96­
hour
Endpoint:
LC50
Equation:
LC50
(mg/
L)
=
(567.0
@
MW)/
58.933
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
cobalt.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
COBALT
9/
1993
325
COPPER
9/
1993
326
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.018
@
MW)/
63.546
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
copper.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
copper.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
were
used.
For
a
solution
with
a
hardness
of
50
mg/
L
as
CaCO3
,
use
the
following
equation:

Acute
Value
(mg/
L)
=
(0.0092
@
MW)/
63.546
For
a
solution
with
a
hardness
of
200
mg/
L
as
CaCO3
,
use
the
following
equation:

Acute
Value
(mg/
L)
=
(0.034
@
MW)/
63.546
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
COPPER
9/
1993
327
COPPER
9/
1993
328
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.012
@
MW)/
63.546
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
copper.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
copper.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.
For
solutions
with
a
hardness
of
50
mg/
L
as
CaCO3
,
use
the
following
equation:

ChV
(mg/
L)
=
(0.0065
@
MW)/
63.546
For
solutions
with
a
hardness
of
200
mg/
L
as
CaCO3
,
use
the
following
equation:

ChV
(mg/
L)
=
(0.0.021
@
MW)/
63.546
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.0029
@
MW)/
63.546
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
copper.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
COPPER
9/
1993
329
CHROMIUM(
III)
9/
1993
330
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(1.700
@
MW)/
51.996
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
chromium(
III).

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
chromium(
III).
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.
For
solutions
with
a
hardness
of
50
mg/
L
as
CaCO3
,
use
the
following
equation:

Acute
Value
(mg/
L)
=
(0.980
@
MW)/
51.996
For
solutions
with
a
hardness
of
200
mg/
L
as
CaCO3
,
use
the
following
equation:

Acute
Value
(mg/
L)
=
(3.100
@
MW)/
51.996
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
CHROMIUM(
III)
9/
1993
331
CHROMIUM(
III)
9/
1993
332
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.210
@
MW)/
51.996
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
chromium(
III).

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
chromium(
III).
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.
For
a
solution
with
a
hardness
of
50
mg/
L
as
CaCO3
,
use
the
following
equation:

ChV
(mg/
L)
=
(0.120
@
MW)/
51.996
For
a
solution
with
a
hardness
of
200
mg/
L
as
CaCO3
,
use
the
following
equation:

ChV
(mg/
L)
=
(0.120
@
MW)/
51.996
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
CHROMIUM(
III)
9/
1993
333
CHROMIUM(
III)
9/
1993
334
Organism:
Eastern
Oyster
embryos
(marine)
Duration:
Acute
Endpoint:
EC50
Equation:
EC50
(mg/
L)
=
(10.3
@
MW)/
51.996
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
chromium(
III).

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
CHROMIUM(
III)
9/
1993
335
CHROMIUM(
VI)
9/
1993
336
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.016
@
MW)/
51.996
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
chromium(
VI).

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.011
@
MW)/
51.996
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
chromium(
VI).

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
CHROMIUM(
VI)
9/
1993
337
CHROMIUM(
VI)
9/
1993
338
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(1.100
@
MW)/
51.996
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
chromium(
VI).

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.050
@
MW)/
51.996
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
chromium(
VI).

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
CHROMIUM(
VI)
9/
1993
339
GERMANIUM
9/
1993
340
Organism:
Fish
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.003
@
MW)/
72.6
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
germanium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
GERMANIUM
9/
1993
341
GOLD
9/
1993
342
Organism:
Daphnid
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.180
@
MW)/
196.967
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
gold.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.

____________________________________________________________________________________
____

Organism:
Green
Algae
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.125
@
MW)/
196.967
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
gold.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
GOLD
9/
1993
343
IRON
9/
1993
344
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(1.0
@
MW)/
55.847
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
iron.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
IRON
9/
1993
345
LANTHANUM
9/
1993
346
Organism:
Daphnid
Duration:
48­
hour
Endpoint:
LC50
Equation:
LC50
(mg/
L)
=
(160.0
@
MW)/
138.906
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
lanthanum.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.

____________________________________________________________________________________
____

Organism:
Fish
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.0008
@
MW)/
138.906
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
lanthanum.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
LANTHANUM
9/
1993
347
LANTHANUM
9/
1993
348
Organism:
Green
Algae
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(6.4
@
MW)/
138.906
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
lanthanum.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
LANTHANUM
9/
1993
349
LEAD
9/
1993
350
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.083
@
MW)/
207.2
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
lead.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
lead.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.0032
@
MW)/
207.2
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
lead.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
lead.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
LEAD
9/
1993
351
LEAD
9/
1993
352
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.220
@
MW)/
207.2
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
lead.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.0085
@
MW)/
207.2
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
lead.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
LEAD
9/
1993
353
MERCURY
9/
1993
354
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.0024
@
MW)/
200.59
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
mercury.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.00012
@
MW)/
200.59
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
mercury.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
MERCURY
9/
1993
355
MERCURY
9/
1993
356
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.0021
@
MW)/
200.59
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
mercury.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.000025
@
MW)/
200.59
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
mercury.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
MERCURY
9/
1993
357
MOLYBDENUM
9/
1993
358
Organism:
Fish
(freshwater)
Duration:
96­
hour
Endpoint:
LC50
Equation:
LC50
(mg/
L)
=
(553.0
@
MW)/
95.94
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
molybdenum.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.

____________________________________________________________________________________
____

Organism:
Fish
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.0223
@
MW)/
95.94
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
molybdenum.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
MOLYBDENUM
9/
1993
359
NICKEL
9/
1993
360
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(1.400
@
MW)/
58.70
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
nickel.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
nickel.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.
For
a
solution
with
a
hardness
of
50
mg/
L
as
CaCO3
,
use
the
following
equation:

Acute
Value
(mg/
L)
=
(0.790
@
MW)/
58.70
For
a
solution
with
a
hardness
of
200
mg/
L
as
CaCO3
,
use
the
following
equation:

Acute
Value
(mg/
L)
=
(2.500
@
MW)/
58.70
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
NICKEL
9/
1993
361
NICKEL
9/
1993
362
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.160
@
MW)/
58.70
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
nickel.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
nickel.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.
For
solutions
with
a
hardness
of
50
mg/
L
as
CaCO3
,
use
the
following
equation:

ChV
(mg/
L)
=
(0.088
@
MW)/
58.70
For
solutions
with
a
hardness
of
200
mg/
L
as
CaCO3
,
use
the
following
equation:

ChV
(mg/
L)
=
(0.280
@
MW)/
58.70
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
NICKEL
9/
1993
363
NICKEL
9/
1993
364
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.075
@
MW)/
58.70
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
nickel.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.0083
@
MW)/
58.70
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
nickel.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
NICKEL
9/
1993
365
PHOSPHORUS
9/
1993
366
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.0001
@
MW)/
30.974
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
phosphorus.

Limitations:
This
equation
is
based
on
the
Water
Quality
Criteria
for
yellow
(elemental)
phosphorus.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
PHOSPHORUS
9/
1993
367
PLATINUM
9/
1993
368
Organism:
Daphnid
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.082
@
MW)/
195.09
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
platinum.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
PLATINUM
9/
1993
369
SELENIUM
9/
1993
370
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.020
@
MW)/
78.96
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
selenium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.005
@
MW)/
78.96
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
selenium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
SELENIUM
9/
1993
371
SELENIUM
9/
1993
372
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.300
@
MW)/
78.96
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
selenium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.071
@
MW)/
78.96
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
selenium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
SELENIUM
9/
1993
373
SILVER
9/
1993
374
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.0041
@
MW)/
107.868
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
silver.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
silver.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.00012
@
MW)/
107.868
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
silver.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
silver.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.

References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
SILVER
9/
1993
375
SILVER
9/
1993
376
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.0023
@
MW)/
107.868
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
silver.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1992.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
SILVER
9/
1993
377
THALLIUM
9/
1993
378
Organism:
Aquatic
life
(freshwater)
Duration:
Acute
Endpoint:
Lowest
Observable
Effect
Concentration
(LOEC)

Equation:
LOEC
(mg/
L)
=
(1.4
@
MW)/
204.37
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
thallium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(freshwater)
Duration:
Chronic
Endpoint:
Lowest
Observable
Effect
Concentration
(LOEC)

Equation:
LOEC
(mg/
L)
=
(0.040
@
MW)/
201.37
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
thallium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
THALLIUM
9/
1993
379
THALLIUM
9/
1993
380
Organism:
Aquatic
life
(marine)
Duration:
Acute
Endpoint:
Lowest
Observed
Effect
Concentration
(LOEC)

Equation:
LOEC
(mg/
L)
=
(2.130
@
MW)/
204.37
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
thallium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
THALLIUM
9/
1993
381
TITANIUM
9/
1993
382
Organism:
Fish
(freshwater)
Duration:
96­
hour
Endpoint:
LC50
Equation:
LC50
(mg/
L)
=
(31.0
@
MW)/
47.90
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
titanium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.

____________________________________________________________________________________
____

Organism:
Daphnid
Duration:
48­
hour
Endpoint:
EC50
Equation:
EC50
(mg/
L)
=
(4.6
@
MW)/
47.90
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
titanium.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
TITANIUM
9/
1993
383
TUNGSTEN
9/
1993
384
Organism:
Daphnid
Duration:
48­
hour
Endpoint:
EC50
Equation:
EC50
(mg/
L)
=
(350.0
@
MW)/
183.85
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
tungsten.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.

____________________________________________________________________________________
____

Organism:
Fish
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(15.61
@
MW)/
183.85
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
tungsten.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1991.
Hazard
Profiles
for
Selected
Heavy
Metals.
Washington,
DC:
Office
of
Pollution
Prevention
and
Toxics,
Health
and
Environmental
Review
Division,
Environmental
Effects
Branch.
TUNGSTEN
9/
1993
385
VANADIUM
9/
1993
386
Organism:
Fish
Duration:
96­
hour
Endpoint:
LC50
Equation:
vanadium
salts
(n=
4)
LC50
(mg/
L)
=
(3.9
@
MW)/
50.942
vanadium
oxides
(n=
13)
LC50
(mg/
L)
=
(3.3
@
MW)/
50.942
vanadium
complexed
with
LC50
(mg/
L)
=
(26.0
@
MW)/
50.942
organic
acids
(n=
1)

vanadium
sulfate
(n=
4)
LC50
(mg/
L)
=
(3.9
@
MW)/
50.942
sodium
vanadate
(VO3
)
(n=
4)
LC50
(mg/
L)
=
(2.5
@
MW)/
50.942
vanadium
pentoxide
(n=
7)
LC50
(mg/
L)
=
(6.1
@
MW)/
50.942
ammonium
LC50
(mg/
L)
=
(2.4
@
MW)/
50.942
vanadate
(VO3
)
(n=
2)

Application:
The
appropriate
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
vanadium.

Limitations:
This
category
is
not
applicable
to
vanadium­
complexed
dyes.
The
toxicity
of
vanadium
salts
and
weak
organic
acid
complexes
is
expected
to
be
related
to
their
water
solubility.
Vanadium
is
more
toxic
in
soft
water
than
hard
water
but
the
relationship
is
not
well
defined.
These
equations
are
based
on
toxicity
data
measured
in
moderately
hard
water
(150.0
mg/
L
as
CaCO3
).
Strong
ion
pairs
with
molecular
weights
greater
than
1000
are
not
expected
to
be
absorbed
by
aquatic
organisms
even
if
they
are
water
soluble.
The
boundaries
for
organovanadium
compounds
are
undefined,
but
the
molecular
weight
boundary
is
expected
to
be
less
than
1000.

References:
Nabholz
JV.
1993.
Vanadium
compounds
(Unpublished
document).
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Pollution
Prevention
and
Toxics,
United
States
Environmental
Protection
Agency.
VANADIUM
9/
1993
387
VANADIUM
9/
1993
388
Organism:
Daphnid
Duration:
48­
hour
Endpoint:
LC50
Equation:
sodium
vanadate
(VO3
)
(n=
1)
LC50
(mg/
L)
=
(4.1
@
MW)/
50.942
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
vanadium.

Limitations:
This
category
is
not
applicable
to
vanadium­
complexed
dyes.
The
toxicity
of
vanadium
salts
and
weak
organic
acid
complexes
is
expected
to
be
related
to
their
water
solubility.
Vanadium
is
more
toxic
in
soft
water
than
hard
water
but
the
relationship
is
not
well
defined.
These
equations
are
based
on
toxicity
data
measured
in
moderately
hard
water
(150.0
mg/
L
as
CaCO3
).
Strong
ion
pairs
with
molecular
weights
greater
than
1000
are
not
expected
to
be
absorbed
by
aquatic
organisms
even
if
they
are
water
soluble.
The
boundaries
for
organovanadium
compounds
are
undefined,
but
the
molecular
weight
boundary
is
expected
to
be
less
than
1000.

References:
Nabholz
JV.
1993.
Vanadium
compounds
(Unpublished
document).
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Pollution
Prevention
and
Toxics,
United
States
Environmental
Protection
Agency.
VANADIUM
9/
1993
389
VANADIUM
9/
1993
390
Organism:
Fish
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
vanadium
pentoxide
(n=
3)
ChV
(mg/
L)
=
(0.670
@
MW)/
50.942
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
vanadium.

Limitations:
This
category
is
not
applicable
to
vanadium­
complexed
dyes.
The
toxicity
of
vanadium
salts
and
weak
organic
acid
complexes
is
expected
to
be
related
to
their
water
solubility.
Vanadium
is
more
toxic
in
soft
water
than
hard
water
but
the
relationship
is
not
well
defined.
These
equations
are
based
on
toxicity
data
measured
in
moderately
hard
water
(150.0
mg/
L
as
CaCO3
).
Strong
ion
pairs
with
molecular
weights
greater
than
1000
are
not
expected
to
be
absorbed
by
aquatic
organisms
even
if
they
are
water
soluble.
The
boundaries
for
organovanadium
compounds
are
undefined,
but
the
molecular
weight
boundary
is
expected
to
be
less
than
1000.

References:
Nabholz
JV.
1993.
Vanadium
compounds
(Unpublished
document).
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Pollution
Prevention
and
Toxics,
United
States
Environmental
Protection
Agency.
VANADIUM
9/
1993
391
VANADIUM
9/
1993
392
Organism:
Green
Algae
Duration:
Endpoint:
No
Observable
Effect
Concentration
(NOEC)
(increased
growth)

Equation:
ChV
(mg/
L)
=
(0.100
@
MW)/
50.942
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
vanadium.
This
equation
is
based
on
toxicity
data
for
vanadium
sulfate
and
sodium
vanadate.

Limitations:
This
category
is
not
applicable
to
vanadium­
complexed
dyes.
The
toxicity
of
vanadium
salts
and
weak
organic
acid
complexes
is
expected
to
be
related
to
their
water
solubility.
Vanadium
is
more
toxic
in
soft
water
than
hard
water
but
the
relationship
is
not
well
defined.
These
equations
are
based
on
toxicity
data
measured
in
moderately
hard
water
(150.0
mg/
L
as
CaCO3
).
Strong
ion
pairs
with
molecular
weights
greater
than
1000
are
not
expected
to
be
absorbed
by
aquatic
organisms
even
if
they
are
water
soluble.
The
boundaries
for
organovanadium
compounds
are
undefined,
but
the
molecular
weight
boundary
is
expected
to
be
less
than
1000.

References:
Nabholz
JV.
1993.
Vanadium
compounds
(Unpublished
document).
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Pollution
Prevention
and
Toxics,
United
States
Environmental
Protection
Agency.
VANADIUM
9/
1993
393
ZINC
9/
1993
394
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.120
@
MW)/
65.38
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
zinc.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
zinc.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.
For
a
solution
with
a
hardness
of
50
mg/
L
as
CaCO3
,
use
the
following
equation:

Acute
Value
(mg/
L)
=
(0.065
@
MW)/
65.38
For
a
solution
with
a
hardness
of
200
mg/
L
as
CaCO3
,
use
the
following
equation:

Acute
Value
(mg/
L)
=
(0.210
@
MW)/
65.38
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
ZINC
9/
1993
395
ZINC
9/
1993
396
Organism:
Aquatic
life
(freshwater)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.110
@
MW)/
65.38
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
zinc.

Limitations:
This
equation
is
based
on
the
hardness
dependent
Water
Quality
Criteria
for
zinc.
The
criterion
for
a
hardness
of
100
mg/
L
as
CaCO3
was
used.
For
solutions
with
a
hardness
of
50
mg/
L
as
CaCO3
,
use
the
following
equation:

ChV
(mg/
L)
=
(0.059
@
MW)/
65.38
For
solutions
with
a
hardness
of
200
mg/
L
as
CaCO3
,
use
the
following
equation:

ChV
(mg/
L)
=
(0.190
@
MW)/
65.38
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
ZINC
9/
1993
397
ZINC
9/
1993
398
Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Acute
Value
Equation:
Acute
Value
(mg/
L)
=
(0.095
@
MW)/
65.38
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
inorganic
and
organic
compounds
containing
zinc.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.

____________________________________________________________________________________
____

Organism:
Aquatic
life
(marine)
Duration:
Endpoint:
Chronic
Value
(ChV)

Equation:
ChV
(mg/
L)
=
(0.086
@
MW)/
65.38
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
organic
and
inorganic
compounds
containing
zinc.

Limitations:
None
References:
United
States
Environmental
Protection
Agency
(USEPA).
1986.
Quality
Criteria
for
Water.
Washington,
DC:
Office
of
Water,
Criteria
and
Standards
Division.
EPA
440/
5­
86­
001.
ZINC
9/
1993
399
ZIRCONIUM
9/
1993
400
Organism:
Fish
Duration:
96­
hour
Endpoint:
LC50
Equation:
LC50
(mg/
L)
=
(58.0
@
MW)/
91.22
Application:
This
equation
may
be
used
to
estimate
the
toxicity
of
both
organic
and
inorganic
compounds
containing
zirconium,
including
inorganic
salts
of
zirconium,
complexes
between
zirconium
and
organic
acids,
and
organozirconium
compounds,
i.
e.,
zirconium
covalently­
bonded
with
carbon.

Limitations:
This
equation
is
not
applicable
to
dyes
complexed
with
zirconium.
The
equation
is
based
on
available
toxicity
data
for
solution
of
moderate
hardness
(i.
e.,
150
mg/
L
as
CaCO3
).
Zirconium
is
more
toxic
in
soft
water
than
in
hard
water.
Acute
toxicity
to
fish
has
been
shown
to
increase
13
times
as
hardness
decreases
from
400.0
to
20
mg/
L.

Compounds
with
molecular
weights
greater
than
1000
are
not
expected
to
be
absorbed
by
aquatic
organisms
even
if
they
are
water
soluble.

References:
Nabholz
JV.
1993.
Zirconium
compounds
(Unpublished
internal
document).
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Pollution
Prevention
and
Toxics,
United
States
Environmental
Protection
Agency.
ZIRCONIUM
9/
1993
401
ZIRCONIUM
9/
1993
402
Organism:
Green
Algae
Duration:
96­
hour
Endpoint:
EC50
Equation:
EC50
(mg/
L)
=
(2.6
@
MW)/
91.22
Application:
This
equation
is
not
applicable
to
dyes
complexed
with
zirconium.
The
equation
is
based
on
available
toxicity
data
for
solution
of
moderate
hardness
(i.
e.,
150
mg/
L
as
CaCO3
).
Zirconium
is
more
toxic
in
soft
water
than
in
hard
water.

Limitations:
This
equation
is
not
applicable
to
dyes
complexed
with
zirconium.
The
equation
is
based
on
available
toxicity
data
for
solution
of
moderate
hardness
(i.
e.,
150
mg/
L
as
CaCO3
).
Zirconium
is
more
toxic
in
soft
water
than
in
hard
water.
Acute
toxicity
to
fish
has
been
shown
to
increase
13
times
as
hardness
decreases
from
400.0
to
20
mg/
L.

Compounds
with
molecular
weights
greater
than
1000
are
not
expected
to
be
absorbed
by
aquatic
organisms
even
if
they
are
water
soluble.

References:
Nabholz
JV.
1993.
Zirconium
compounds
(Unpublished
internal
document).
Washington,
DC:
Environmental
Effects
Branch,
Health
and
Environmental
Review
Division,
Office
of
Pollution
Prevention
and
Toxics,
United
States
Environmental
Protection
Agency.
ZIRCONIUM
9/
1993
403
404
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REGISTRATION
FORM
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receive
timely
updates
to
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Structure
Activity
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manual,
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it
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