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Ecological Screening Assessment Report on Perfluorooctane Sulfonate, Its Salts and Its Precursors that Contain the C8F17SO2 or C8F17SO3, or C8F17SO2N Moiety

Appendix 1: List of PFOS and its Precursors

Appendix 1: List of PFOS and its Precursors Identified Through Section 71 CEPA 1999 Industry Survey, CATABOL Modelling and Expert JudgementFootnote a
CAS No.Common NameChemical NameMolecular FormulaPFOS
(Catabol)Footnote b
PFOS
(Expert Judge-
ment)
N/APFOS anion1-Octanesulfonate
, 1,1,2,2,3,3,4,4,5
,5,6,6,7,7,8,8,8-
heptadecafluoro-
C8F17SO3-  
1763-23-1PFOS acid
(perfluoro
octanesulfonic

acid)
(also called
PFOSH)
1-Octanesulfonic
acid, 1,1,2,2,3,3
,4,4,5,5,6,6,7,7,
8,8,8-heptadeca
fluoro-
C8F17SO3HYY
2795-39-3PFOS
potassium (K+) salt
1-Octanesulfonic
acid, 1,1,2,2,3,3,
4,4,5,5,6,6,7,7,8
,8,8-heptadecafluoro
-, potassium salt
C8F17SO3KYY
29081-56-9PFOS
ammonium
(NH4+) salt
1-Octanesulfonic
acid, 1,1,2,2,3,3
,4,4,5,5,6,6,7,7,
8,8,8-heptadecafluoro-
, ammonium salt
C8F17SO3NH4YY
29457-72-5PFOS lithium (Li+) salt1-Octanesulfonic
acid, 1,1,2,2,3,3
,4,4,5,5,6,6,7,7,8
,8,8-heptadecafluoro-
, lithium salt
C8F17SO3LiYY
70225-14-8PFOS diethanolamine (DEA) salt1-Octanesulfonic
acid, 1,1,2,2,3,3,4,
4,5,5,6,6,7,7,8,8,8
-heptadecafluoro-,

compd. with 2,2-
iminobis[ethanol] (1:1)
C8F17SO3NH
(CH2CH2OH)2
YY
307-35-7POSF1-Octanesulfonyl
fluoride
, 1,1,2,2,3,3,4,4,5
,5,6,6,7,7,8,8,8-
heptadecafluoro-
C8F18O2SYY
1691-99-2N-EtFOSE alcohol1-Octanesulfonamide
, N-ethyl-1,1,2,2,3,3
,4,4,5,5,6,6,7,7,8,8
,8-heptadecafluoro
-N-(2-hydroxyethyl)-
C12H10F17NO3SYY
4151-50-2N-EtFOSA1-Octanesulfonamide,
N-ethyl-1,1,2,2,3,3
,4,4,5,5,6,6,7,7,8,8,8
-heptadecafluoro-
C10H6F17NO2SYY
24448-09-7N-MeFOSE alcohol1-Octanesulfonamide,
1,1,2,2,3,3,4,4,5,5,6
,6,7,7,8,8,8-heptade
cafluoro-N-(2-hydrox
yethyl)-N-methyl-
C11H8F17NO3SYY
31506-32-8N-MeFOSA1-Octanesulfonamide,
1,1,2,2,3,3,4,4,5,5,6
,6,7,7,8,8,8-heptadecafluoro
-N-methyl-
C9H4F17NO2SYY
25268-77-3N-MeFOSEA2-Propenoic acid, 2-
[[(heptadecafluorooctyl)
sulfonyl]methylamino]
ethyl ester
C14H10F17NO4SYY
423-82-5N-EtFOSEA2-Propenoic acid,
2-[ethyl[(heptadecafluoro
octyl)sulfonyl]amino]
ethyl ester
C15H12F17NO4SYY
2250-98-8 1-Octanesulfonamide,
N,N',N''-[phosphinyli
dynetris(oxy-2,1-ethan
ediyl)]tris[N-ethyl-1,
1,2,2,3,3,4,4,5,5,6,6,
7,7,8,8,8-heptadecafluoro-
C36H27F51N3O10
PS3
YY
2991-51-7 Glycine, N-ethyl-N-
[(heptadecafluoro
octyl)sulfonyl]-,
potassium salt
C12H8F17NO4
S.K
YY
29117-08-6 Poly(oxy-1,2-ethanediyl),
a-[2-[ethyl[(heptadecafluoro
octyl)sulfonyl]amino]ethyl]-
w-hydroxy-
(C2H4O)nC12H10
F17NO3S
could not
be modelled
Y
30381-98-7 1-Octanesulfonamide,
N,N-[phosphinicobis
(oxy-2,1-ethanediyl)]
bis[N-ethyl-1,1,2,2,3,
3,4,4,5,5,6,6,7,7,8,8,8-
heptadecafluoro-,

ammonium salt
C24H19F34N2O8
PS2.H3N
YY
38006-74-5 1-Propanaminium,
3-[[(heptadecafluoro
octyl)sulfonyl]amino]
-N,N,N-trimethyl-,

chloride
C14H16F17N2
O2S.Cl
YY
52550-45-5 Poly(oxy-1,2-ethanediyl),
a-[2-[[(heptadecafluoro
octyl)sulfonyl]
propylamino]ethyl]-
?-hydroxy-
(C2H4O)nC13
H12F17NO3S
could not
be modelled
Y
56773-42-3 Ethanaminium,
N,N,N-triethyl-,
salt with 1,1,2,2,3,
3,4,4,5,5,6,6,7,7,
8,8,8-heptadecafluoro
-1-octanesulfonic

acid (1:1)
C8H20N.C8F17
O3S
YY
57589-85-2 Benzoic acid,
2,3,4,5-tetrachloro
-6-[[[3-[[(heptadeca
fluorooctyl)sulfonyl]
oxy]phenyl]amino]
carbonyl]-,
monopotassium salt
C22H6Cl4F17
NO6S.K
YY
67939-88-2 1-Octanesulfonamide,
N-[3-(dimethylamino)propyl]
-1,1,2,2,3,3,4,4,
5,5,6,6,7,7,8,8,8
-heptadecafluoro-
, monohydrochloride
C13H13F17N2O2
S.ClH
YY
67969-69-1 1-Octanesulfonamide,
N-ethyl-1,1,2,2,3,3,4
,4,5,5,6,6,7,7,8,8,8-
heptadecafluoro-N-[
2-(phosphonooxy)ethyl]
-, diammonium salt
C12H11F17NO6
PS2.H3N
YY
68298-11-3 1-Propanaminium,
3-[[(heptadecafluoro
octyl)sulfonyl](3-sulfopropyl)
amino]-N-(2-hydroxyethyl)
-N,N-dimethyl-,
hydroxide, inner salt
C18H23F17N2
O6S2
YY
68298-62-4 2-Propenoic acid,
2-[butyl[(heptadeca
fluorooctyl)sulfonyl]
amino]ethyl ester,

telomer with 2-
[butyl[(pentadeca
fluoroheptyl)sulfonyl]amino]ethyl

2-propenoate,
methyloxirane
polymer with oxirane

di-2-propenoate,
methyloxirane
polymer with

oxirane mono-
2-propenoate

and 1-octanethiol
(C17H16F17NO4
S.C16H16F15NO4
S.W99.W99)x
.C8H18S
could not
be modelled
Y
68298-78-2 2-Propenoic acid,
2-methyl-, 2-[[[[5-[[[2-
[ethyl[(heptadeca
fluorooctyl)sulfonyl]
amino]ethoxy]carbonyl]
amino]-2-methylphenyl]
amino]carbonyl]oxy]
propyl ester, telomer

with butyl 2-propenoate,
2-[[[[5-[[[2-[ethyl[
(nonafluorobutyl)
sulfonyl]amino]
ethoxy]carbonyl]amino]
-2-methylphenyl]amino]
carbonyl]oxy]propyl 2
-methyl-2-propenoate,

2-[[[[5-[[[2-[ethyl[
(pentadecafluoroheptyl)
sulfonyl]amino]ethoxy]
carbonyl]amino]-2
-methylphenyl]amino]
carbonyl]oxy]propyl
2-methyl-2-propenoate,
2-[[[[5-[[[2-[ethyl[(trideca
fluorohexyl)
sulfonyl]amino]ethoxy]
carbonyl]amino]-
2-methylphenyl]amino]
carbonyl]oxy]propyl
2-methyl-2-propenoate,
2-[[[[5-[[[2-[ethyl[
(undecafluoropentyl)
sulfonyl]amino]ethoxy]
carbonyl]amino]-2-methylphenyl]
amino]carbonyl]oxy]propyl
2-methyl-2-propenoate,
2-[[(heptadecafluorooctyl)
sulfonyl]methylamino]
ethyl 2-propenoate,
2-[methyl[(nonafluorobutyl)sulfonyl]
amino]ethyl 2-propenoate,
2-[methyl[(pentadecafluoroheptyl)
sulfonyl]amino]ethyl 2-propenoate,
2-[methyl[(tridecafluorohexyl)
sulfonyl]amino]ethyl
2-propenoate,

2-[methyl[(undecafluoropentyl)
sulfonyl]amino]ethyl
2-propenoate and 1-octanethiol
(C28H28F17N3
O8S.C27H28F15
N3O8S.C26H28
F13N3O8S.C25
H28F11N3O8S.C24
H28F9N3O8S.C14
H10F17NO4S.C13
H10F15NO4S.C12
H10F13NO4S.C11
H10F11NO4S.C10
H10F9NO4S.C7
H12O2)x.C8H18S
could not
be modelled
Y
68329-56-6 2-Propenoic acid,
eicosyl ester, polymer with
2-[[(heptadecafluorooctyl)
sulfonyl]methylamino]ethyl
2-propenoate, hexadecyl
2-propenoate,
2-[methyl[(nonafluorobutyl)
sulfonyl]amino]ethyl
2-propenoate, 2-[methyl[
(pentadecafluoroheptyl)
sulfonyl]amino]ethyl

2-propenoate,
2-[methyl[(tridecafluorohexyl)
sulfonyl]amino]ethyl
2-propenoate,
2-[methyl[(undecafluoropentyl)
sulfonyl]amino]ethyl 2-propenoate
and octadecyl 2-propenoate
(C23H44O2.C21
H40O2.C19H36
O2.C14H10F17
NO4S.C13H10
F15NO4S.C12
H10F13NO4
S.C11H10F11
NO4S.C10H10
F9NO4S)x
could not
be modelled
Y
68555-90-8 2-Propenoic acid,
butyl ester, polymer with
2-[[(heptadecafluorooctyl)
sulfonyl]methylamino]ethyl
2-propenoate, 2-[methyl[
(nonafluorobutyl)sulfonyl]
amino]ethyl 2-propenoate,

2-[methyl[(pentadeca
fluoroheptyl)sulfonyl]
amino]ethyl 2-propenoate,

2-[methyl[(tridecafluorohexyl)
sulfonyl]amino]ethyl

2-propenoate and
2-[methyl[(undecafluoro
pentyl)sulfonyl]
amino]ethyl 2-propenoate
(C14H10F17NO4
S.C13H10F15NO4
S.C12H10F13NO4
S.C11H10F11NO4
S.C10H10F9NO4
S.C7H12O2)x
could not
be modelled
Y
68555-91-9 2-Propenoic acid,
2-methyl-, 2-[ethyl[
(heptadecafluorooctyl)
sulfonyl]amino]ethyl

ester, polymer with
2-[ethyl[(nonafluorobutyl)
sulfonyl]amino]ethyl
2-methyl-2-propenoate,

2-[ethyl[(pentadecafluoro
heptyl)sulfonyl]amino]
ethyl 2-methyl-2-prope
noate, 2-[ethyl[(tridecaflu
orohexyl)sulfonyl]amino]
ethyl 2-methyl-2-propenoate,
2-[ethyl[(undecafluoropentyl)
sulfonyl]amino]ethyl 2-methyl-
2-propenoate and octadecyl
2-methyl-2-propenoate
(C22H42O2.C16
H14F17NO4S.C15
H14F15NO4S.C14
H14F13NO4S.C13
H14F11NO4S.C12
H14F9NO4S)x
could not
be modelled
Y
68555-92-0 2-Propenoic acid, 2-methyl-,
2-[[(heptadecafluorooctyl)
sulfonyl]methylamino]ethyl
ester, polymer with
2-[methyl
[(nonafluorobutyl)sulfonyl]amino]
ethyl 2-methyl-2-propenoate,

2-[methyl[(pentadecafluoroheptyl)
sulfonyl]amino]ethyl
2-methyl-2-propenoate,
2-[methyl[(tridecafluorohexyl)
sulfonyl]amino]ethyl

2-methyl-2-propenoate,
2-[methyl[(undecafluoropentyl)
sulfonyl]amino]ethyl
2-methyl-2-propenoate and
octadecyl 2-methyl-2-propenoate
(C22H42O2.C15
H12F17NO4S.C14
H12F15NO4S.C13
H12F13NO4S.C12
H12F11NO4S.C11
H12F9NO4S)x
could not
be modelled
Y
68586-14-1 2-Propenoic acid,
2-[[(heptadecafluorooctyl)
sulfonyl]methylamino]ethyl

ester, telomer with 2-[methyl
[(nonafluorobutyl)sulfonyl]
amino]ethyl 2-propenoate,

a-(2-methyl-1-oxo-2-propenyl)
-?-hydroxypoly(oxy-1,2
-ethanediyl), a-(2-methyl-
1-oxo-2-propenyl)-w-
[(2-methyl-1
-oxo-2-propenyl)oxy]
poly(oxy-1,2-ethanediyl),
2-[methyl[(pentadecafluoro
heptyl)sulfonyl]amino]
ethyl 2-propenoate,

2-[methyl[(tridecafluoro
hexyl)sulfonyl]amino]
ethyl 2-propenoate,

2-[methyl[(undecafluoro
pentyl)sulfonyl]amino]
ethyl 2-propenoate
and 1-octanethiol
(C14H10F17NO4
S.C13H10F15NO4
S.C12H10F13NO4
S.C11H10F11NO4
S.C10H10F9NO4
S.(C2H4O)nC8H10
O3.(C2H4O)nC4
H6O2)x.C8H18S
could not
be modelled
Y
68649-26-3 1-Octanesulfonamide,
N-ethyl-1,1,2,2,3,3,4,
4,5,5,6,6,7,7,8,8,8
-heptadecafluoro-N-
(2-hydroxyethyl)-,
reaction products with

N-ethyl-1,1,2,2,3,
3,4,4,4-nonafluoro-
N-(2-hydroxyethyl)
-1-butanesulfonamide,

N-ethyl-1,1,2,2,3,3
,4,4,5,5,6,6,7,7,7-
pentadecafluoro-
N-(2-hydroxyethyl)-
1-heptanesulfonamide,

N-ethyl-1,1,2,2,3,3,
4,4,5,5,6,6,6-
tridecafluoro-N-
(2-hydroxyethyl)-
1-hexanesulfonamide,

N-ethyl-1,1,2,2,3,3,4,
4,5,5,5-undecafluoro
-N-(2-hydroxyethyl)
-1-pentanesulfonamide,

polymethylenepolyphenylene
isocyanate and stearyl alc.
(C18H38O.C12
H10F17NO3S.C11
H10F15NO3S .C10
H10F13NO3
S ..CH10F11NO3
S.C8H10F9NO3
S.Unspecified)x
could not
be modelled
Y
68867-62-9 2-Propenoic acid,
2-methyl-, 2-[ethyl[
(heptadecafluorooctyl)
sulfonyl]amino]ethyl ester,

telomer with 2-[ethyl[
(nonafluorobutyl)sulfonyl]
amino]ethyl 2-methyl-
2-propenoate, 2-[ethyl[
(pentadecafluoroheptyl)
sulfonyl]amino]ethyl
2-methyl-2-propenoate,

2-[ethyl[(tridecafluorohexyl)
sulfonyl]amino]ethyl

2-methyl-2-propenoate,
2-[ethyl[(undecafluoro
pentyl)sulfonyl]amino]ethyl
2-methyl-2-propenoate,

1-octanethiol and
a-(1-oxo-2-propenyl)-
?-methoxypoly(oxy-1,
2-ethanediyl)
(C16H14F17NO4
S.C15H14F15NO4
S.C14H14F13NO4
S.C13H14F11NO4
S.C12H14F9NO4
S.(C2H4O)nC4H6O2)x
.C8H18S
could not
be modelled
Y
68877-32-7 2-Propenoic acid,
2-methyl-, 2-[ethyl[
(heptadecafluorooctyl)
sulfonyl]amino]ethyl

ester, polymer with
2-[ethyl[(nonafluorobutyl)
sulfonyl]amino]ethyl
2-methyl-2-propenoate,

2-[ethyl[(pentadecafluo
roheptyl)sulfonyl]
amino]ethyl 2-methyl-
2-propenoate, 2-[ethyl
[(tridecafluorohexyl)sulfonyl]
amino]ethyl 2-methyl-
2-propenoate,
2-[ethyl[(undecafluoropentyl)
sulfonyl]amino]
ethyl 2-methyl-2-propenoate
and 2-methyl-1,3-butadiene
(C16H14F17NO4
S.C15
H14F15NO4S.C14
H14F13NO4S.C13
H14F11
NO4S.C12H14F9
NO4S.C5H8)x
could not
be modelled
Y
68891-96-3 Chromium,
diaquatetrachloro
[µ-[N-ethyl-N-
[(heptadecafluorooctyl)sulfonyl]
glycinato-O’:O“ ]]µ-hydroxybis
(2-methylpropanol)di-
C18H28Cl4Cr2
F17NO9S
YY
68958-61-2 Poly(oxy-1,2-ethanediyl),
a-[2-[ethyl[(heptadecafluoro
octyl)sulfonyl]amino]ethyl]-
w-methoxy-
(C2H4O)nC13
H12F17NO3S
could not
be modelled
Y
70776-36-2 2-Propenoic acid, 2-methyl-,
octadecyl ester, polymer with
1,1-dichloroethene,
2-[[(heptadecafluorooctyl)
sulfonyl]methylamino]ethyl

2-propenoate, N-(hydroxymethyl)-
2-propenamide, 2-[methyl[(
nonafluorobutyl)sulfonyl]
amino]ethyl 2-propenoate,

2-[methyl[(pentadecafluoro
heptyl)sulfonyl]amin
o]ethyl 2-propenoate,

2-[methyl[(tridecafluorohexyl
)sulfonyl]amino]ethyl

2-propenoate and
2-[methyl[(undecafluorop
entyl)sulfonyl]amino]ethyl

2-propenoate
(C22H42O2.C14
H10F17NO4S.C13
H10F15NO4S.C12
H10F13NO4S.C11
H10F11NO4S.C10
H10F9NO4S.C4
H7NO2.C2H2Cl2)x
could not
be modelled
Y
71487-20-2 2-Propenoic acid,
2-methyl-, methyl
ester, polymer with
ethenylbenzene,
2-[[(heptadecafluoro
octyl)sulfonyl]methylamino]
ethyl 2-propenoate,

2-[methyl[(nonafluoro
butyl)sulfonyl]amino]
ethyl 2-propenoate,
2-[methyl[(pentadecafluoro
heptyl)sulfonyl]amino]ethyl
2-propenoate, 2-[methyl[
(tridecafluorohexyl)sulfonyl]
amino]ethyl 2-propenoate,

2-[methyl[(undecafluoropentyl)
sulfonyl]amino]ethyl
2-propenoate and 2-propenoic acid
(C14H10F17NO4
S.C13H10F15NO4
S.C12H10F13NO4
S.C11H10F11NO4
S.C10H10F9NO4
S.C8H8.C5H8O2
.C3H4O2)x
could not
be modelled
Y
92265-81-1 Ethanaminium, N,N,
N-trimethyl-2-[(2-methyl-1-
oxo-2-propenyl)oxy]-,

chloride, polymer
with 2-ethoxyethyl
2-propenoate, 2-[[(hepta
decafluorooctyl)sulfonyl]
methylamino]ethyl
2-propenoate

and oxiranylmethyl
2-methyl-2-propenoate
(C14H10F17NO4
S.C9H18NO2.C7
H12O3.C7H10O3
.Cl)x
NY
94313-84-5 Carbamic acid, [5-
[[[2-[[(heptadecafluoro

octyl) sulfonyl]
methylamino]
ethoxy]carbonyl]
amino]-2-methylphenyl]-,

9-octadecenyl ester, (Z)-
C38H50F17N3
O6S
YY
98999-57-6 Sulfonamides,
C7-8-alkane,

perfluoro, N-methyl
-N-[2-[(1-oxo-2-propenyl)
oxy]ethyl], polymers with
2-ethoxyethyl acrylate,

glycidyl methacrylate and
N,N,N-trimethyl-2-
[(2-methyl-1-oxo-propenyl)
oxy]ethanaminium chloride
(C14H10F17NO4
S.C9H18NO2
.C7H12O3.C7
H10O3.Cl)x
could not
be modelled
Y
178094-69-4 1-Octanesulfonamide, N-[3-
(dimethyloxidoamino)propyl]
-1,1,2,2,3,3,4,4,5,5,6,6,7,
7,8,8,8-heptadecafluoro-,
potassium salt
C13H12F17N2O3
S.K
YY
N/A 2-(Perfluoro-N-methyl-
C4-8-1-alkanesulfonamido)
ethyl esters of trimers of
C18 unsaturated fatty acids
N/Acould not
be modelled
Y
68909-15-9 2-Propenoic acid, eicosyl
ester, polymers with

branched octyl acrylate,
2-[[(heptadecafluoro
octyl)sulfonyl]methylamino]
ethyl acrylate, 2-[methyl[(nona
fluorobutyl)sulfonyl]amino]
ethyl acrylate, 2-[methyl[
(pentadecafluoroheptyl)
sulfonyl]amino]ethyl
acrylate, 2-[methyl[(tride
cafluorohexyl)sulfonyl]
amino]ethyl acrylate,

2-[methyl[(undecafluoropentyl)
sulfonyl]amino]ethyl acrylate,
polyethylene glycol acrylate

Me ether and stearyl acrylate
(C23H44O2.C21
H40O2.C14H10
F17NO4S.C13H10
F15NO4S.C12H10
F13NO4S.C11H10
F11NO4S.C10H10
F9NO4S.(C2H4O)n
C4H6O2
.Unspecified)x
could not
be modelled
Y
148684-79-1 Sulfonamides,
C4-8-alkane, perfluoro,

N-(hydroxyethyl)-N-methyl,
reaction products with
1,6-diisocyanatohexane

homopolymer and ethylene glycol
N/Acould not
be modelled
Y
30295-51-3 1-Octanesulfonamide,
N-[3-(dimethyloxidoamino)
propyl]-1,1,2,2,3,3,4,4,5,5,
6,6,7,7,8,8,8-heptadecafluoro-
N/AYY
91081-99-1 Sulfonamides, C4-8-alkane,
perfluoro, N-(hydroxyethyl)-
N-methyl, reaction products

with epichlorohydrin,
adipates (esters)
N/Acould not
be modelled
Y
N/A Fatty acids, C18-unsatd.,
dimers, 2-[methyl[(perfluoro-
C4-8-alkyl)sulfonyl]amino]
ethyl esters
N/AYY
68081-83-4 Carbamic acid, (4-methyl-1,3
-phenylene)bis-, bis[2-[ethyl
[(perfluoro-C4-8-alkyl)sulfonyl]
amino]ethyl] ester
 YY
68608-14-0 Sulfonamides, C4-8-alkane,
perfluoro, N-ethyl-N-(hydroxyethyl),

reaction products with
1,1'-methylenebis
[4-isocyanatobenzene]
C15H10N2O2
.Unspecified
YY
376-14-7 2-Propenoic acid,
2-methyl-, 2-[ethyl[
(heptadecafluorooctyl)
sulfonyl]amino]ethyl ester
C16H14F17NO4
S
YY
14650-24-9 2-Propenoic acid,
2-methyl-, 2-[[(heptadecafluorooctyl)
sulfonyl]methylamino]
ethyl ester
C15H12F17NO4
S
YY
94133-90-1 1-Propanesulfonic acid,
3-[[3-(dimethylamino)propyl]
[(heptadecafluorooctyl)
sulfonyl]amino]-2-hydroxy-,
monosodium salt
C16H19F17N2O6
S2.Na
YY
127133-66-8 2-Propenoic acid, 2-methyl-
, polymers with Bu
methacrylate, lauryl
methacrylate and 2-
[methyl[(perfluoro-
C4-8-alkyl)sulfonyl]
amino]ethyl methacrylate
(C16H30O2
.C8H14O2.C4
H6O2)x
YY
179005-06-2 Sulfonamides, C4-8-alkane,
perfluoro, N-[3-
(dimethyloxidoamino)propyl], potassium salts
N/Acould not
be modelled
Y
179005-07-3 Sulfonamides, C4-8-alkane,
perfluoro, N-[3-
(dimethyloxidoamino)propyl]
N/Acould not
be modelled
Y
ROF Residual Organic Fluorochemicals (impurities)N/AYY

Footnotes

Footnote A

1. References: Mekenyan et al. (2002); Purdy (2002a). 2. N/A = not available; Bu = butyl; Et = ethyl; Me = methyl. 3. This list is not necessarily an exhaustive list of all possible PFOS precursors.

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Footnote B

For each substance modelled, CATABOL generates a microbial metabolic pathway tree based upon the parent “query” structure and a prediction for biodegradability. The metabolic pathway tree module is based on a training data set primarily from the University of Minnesota Biocatalysis/Biodegradation database (UM-BBD) and expert knowledge. The metabolic tree contains the products of microbial biodegradation from the parent compound down to carbon dioxide and water or stable metabolites. Some of the chemicals could not be modelled by CATABOL due to the lack of SMILES notation.
The biodegradation simulator is based on a database of 742 substances tested by CITI (1992) using the Modified MITI Test (I), which follows the OECD 301C test methods and is one of six methods approved by the OECD for ready biodegradability. A more complete description of CATABOL modelling is provided in Robinson (2002).

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