Registration Dossier
Registration Dossier
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EC number: 942-835-1 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
KOWWIN calculates the log10 Pow where all of the amine species are fully unionized. So, based on the estimated pKa’s of the amine species in the three main constituents, a fully unionized test material would only exist at about pH 11. Consequently, log10 Pow estimates consistent at an environment relevant pH (e.g. pH 7.0) would be significantly less than the values shown above.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.42
Additional information
Determination of the Partition Coefficient (n-Octanol/Water) was not possible according to Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Methods 107 and 117 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and 13 April 2004 respectively, due to the substance being a complex mixture with a negative log10PoW:
The partition coefficient was therefore estimated using a computer-based atom fragment contribution method, KOWWIN, version 1.68 (September 2010), © 2000 U.S. Environmental Protection Agency. The estimated partition coefficient (log10Pow) values for the three, main constituents were
Constituent 1: Estimated log10 Pow = -2.74
Constituent 2: Estimated log10 Pow = -2.42
Constituent 3: Estimated log10 Pow = -2.65
However, it must be noted that KOWWIN calculates the log10 Pow where all of the amine species are fully unionized. So, based on the estimated pKa’s of the amine species in the three main constituents, a fully unionized test material would only exist at about pH 11. Consequently, log10 Pow estimates consistent at an environment relevant pH (e.g. pH 7.0) would be significantly less than the values shown above.
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