MEMORANDUM
May
2005
Subject:
Product
Chemistry
of
:
Para­
Tertiary­
Amylphenol(
PC
Code:
64101),
Par­
Tertiary­
Amylphenol,
Sodium
Salt
(
PC
Code
64112),
and
Para­
Tertiary­
Amylphenol,
Potassium
Salt
(
PC
Code
64111)

From:
A.
Najm
Shamim,
Ph.
D.,
Chemist
Regulatory
Management
Branch
II
Antimicrobials
Division
(
7510C)

To:
Tim
McMahon,
Ph.
D.,
Senior
Toxicologist
Chair,
ADTC
of
Antimicrobials
Division
Antimicrobials
Division
(
7510C)

Thru:
Ben
Chambliss,
Acting
Team
Leader
Regulatory
Management
Branch
II
Antimicrobials
Division
(
7510C)

And
Deborah
Smegal,
Science
Coordinator
for
PTAP
Risk
Assessment
and
Science
Support
Branch
Antimicrobials
Division
(
7510C)

Mark
Hartman,
Chief
Regulatory
Management
Branch
II
Antimicrobials
Division
(
7510C)

DP
BARCODE:
316275
PC
CODE:
64101
Enclosed
is
product
chemistry
chapter
submitted
for
the
Reregistration
Eligibility
Decision
(
RED)
process.

4­
TERTIARY­
AMYLPHENOL
Chemical
Name:
p­
Tertiary
­
Amylphenol
OR
4­
Tertiary­
Amylphenol
Common
and
or
Trade
Name:
NIPACIDE
®
PTAP/
PENTAPHEN
67
PC
Code:
64101
CAS#:
80­
46­
6
Molecular
Formula:
C
5
H
11
­
C
6
H
4
­
OH
Molecular
Weight:
164.25
M.
P.
95
o
C
B.
P.
263o
C
Vapor
Pressure:
1.16
x
10­
3
mm
Hg
at
25
o
C
Solubility
in
Water:
113.4
mg/
L
Log
K
ow
3.91(
estimated)
1
Henry
Law
Constant
(
HLC):
2.03
x
10­
6
atm­
m3/
mol
(
estimated)
1
Log
K
oc
:
3.57
(
estimated)
1
Physical
State:
White
Solid
Persistence
in
Air
(
t
½
in
Air):
3.073
hours
(
measured
against
hydroxy
radical)
1
4­
TERTIARY
­
AMYLPHENOL­
SODIUM
SALT
Chemical
Name:
Phenol,
4­(
1,1­
Dimethylpropyl)­
Sodium
Salt
PC
Code:
64112
CAS#:
31366­
95­
7
Molecular
Formula:
C
5
H
11
­
C
6
H
4
­
O­
Na+
Molecular
Weight:
186.23
M.
P.
205
o
C
(
estimated)
1
B.
P.
485
o
C
(
estimated)
1
Vapor
Pressure:
7.7
x10­
10
(
estimated)
1
At
25o
C
Solubility
in
Water:
4595
mg/
L
(
estimated)
1
Log
K
ow
:
1.23
Henry
law
Constant
(
HLC):
4.10
x
10­
14
atm­
m3
/
mole
(
estimated)
1
Log
K
oc
:
3.57
Persistence
in
Air
(
t
½
in
Air):
4.67
hours
(
measured
against
hydroxy
radical)
1
Physical
State:
Solid
4­
TERTIARY­
AMYLPHENOL­
POTASSIUM
SALT
Chemical
Name:
Phenol,
4­(
1,1­
Dimethylpropyl),
Potassium
Salt
PC
Code:
64111
CAS#:
53404­
18­
5
Molecular
Formula:
C
5
H
11
­
C
6
H
4
­
OK+
Molecular
Weight:
202.34
M.
P.
206
o
C
BP:
486
o
C
Vapor
pressure:
7.7
x10­
10
mm
Hg
at
25
o
C
(
estimated)
1
Solubility
in
Water:
3811
mg/
L
at
25
o
C
(
estimated)
1
Log
K
ow
:
1.23
(
estimated)
1
Henry
law
Constant
(
HLC):
5.38
x
10­
14
atm­
m3
/
mole
(
estimated)
1
Log
K
oc
:
3.57
(
estimated)
1
Persistence
in
Air
(
t
½
in
Air):
4.67
hours
(
measured
against
hydroxy
radical)
1
Physical
State:
Solid
BIBLIOGRAPHY
MRID#
CITATIONS
1
­­­­­­­­­­­­­­­­
US
EPA's
Estimation
of
P/
Chem
Properties
Program,
EPI
Suite
