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EC number: 270-877-4
CAS number: 68479-98-1
Experimental evaluation of the test substance's adsorption/desorption properties was not possible. Therefore, an estimated value was of 32 to 551 L/kg was obtained using KOWWIN, version 1.67.
The QSAR calculation for the chemical class of non-hydrophobic is shown
Log10 Koc = 0.52 x Log10 Pow + 1.02 = 1.62 (Koc=42)
where: Koc, = adsorption coefficient;
Pow = partition coefficient (log10 Pow = 1.16, measured).
The QSAR calculation for Koc based on the log Pow method is based on the
Log10 Koc = 0.55 log10 Pow + correction factor = 0.59 (Koc= 3.9)
where, the measured value for the log Pow reported by Featherstone and
Rutland (2010) was used, along with a correction factor of -0.0432 to
account for the nitrogen groups on a non-fused aromatic ring (KOWWIN,
version 1.67, Copyright 2000 U.S.A.).
No determination of the adsorption coefficient was possible by the HPLC
estimation method, Method 121 of the OECD Guidelines for Testing of
Chemicals, 22 January 2001. This method is invalid for the test material
because the dissociation constant of the two primary amine functional
groups was predicted to be 6.0 and 8.9, respectively. Therefore, the
test material would maintain at least a single cationic charge over the
entire environmentally relevant pH range of 5.5 to 7.5 applicable for
the method. Cationic species have been demonstrated to interact with the
HPLC column stationary phase by mechanisms other than partitioning, thus
invalidating the estimation of the adsorption coefficient of the test
material by comparison to the capacity factors of reference substances
of known adsorption coefficient values.
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