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EC number: 296-566-3
CAS number: 92797-30-3
For detailed information on the results please refer to the attached
log Koc > 5.0 (KOCWIN v2.00, MCI)
log Koc > 5.0 (KOCWIN v2.00, log Pow method)
There are no experimental studies assessing the adsorption/desorption of
fatty acids, C14-22, C16-24-alkyl esters (CAS 92797-30-3). Therefore,
the log Koc was calculated by (Q)SAR (EPI Suite v4.11) for the three
main constituents of the substance, using the KOCWIN v2.00 model based
on the Molecular Connectivity Index (MCI) and the log Kow method.
The three molecules only partially fulfill the applicability domain of
the models due to the high estimated log Kow (> 8.12/8.68). Therefore,
the results are not fully reliable but can be indicative of trends.
The estimation based on the MCI method resulted in a log Koc values of
9.63 (constituent 1), 9.63 (constituent 2), and 10.15 (constituent 3).
The log Kow method resulted in log Koc values of 10.57 (constituent 1),
10.57 (constituent 2), and 11.11 (constituent 3). Both models indicate a
high potential for adsorption, which is in line with the high log Kow.
The log Koc values obtained by the MCI method are retained as key values.
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