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EC number: 947-899-4
CAS number: -
For detailed information on the results please refer to the attached
log Koc > 5.0 (25 °C, EPI Suite v4.11, KOCWIN v2.00, MCI method)
log Koc > 5.0 (25 °C, EPI Suite v4.11, KOCWIN v2.00, log Kow
No experimental studies are available assessing the adsorption
potential of fatty acids C18-C22 (even numbered), tetraesters with
pentaerythritol. Therefore, the log Koc was calculated by (Q)SAR, using
the KOCWIN v2.00 model based on the Molecular Connectivity Index (MCI)
and the log Kow method, for three representative constituents of the
The predicted constituents only partially fall within the
applicability domain of both methods, mainly due to the high, estimated
log Kow (> 5, QSAR models) of the substance. Thus, the reported results
are not fully reliable. Nonetheless, the predictions are considered
sufficiently reliable to provide an indication of trends and are
considered acceptable in a weight-of-evidence approach according to
REACh regulation (EC) No 1907/2006, Annex XI General rules for
adaptation of the standard testing regime set out in Annexes VII to X,
The estimation based on the MCI method resulted in log Koc values
of 22.93 - 23.98 and the log Kow method resulted in similar values of
21.91. - 23.00. Both models indicate a high potential for adsorption to
particles in soil and sediment, which is in line with the high estimated
log Kow (> 10, VEGA version 1.1.3).
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