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EC number: 306-082-7
CAS number: 95912-86-0
For detailed description on the model and its applicability, see
"Any other information on materials and methods incl. tables".
log Koc: > 5 (KOCWIN v2.00)
No experimental studies investigating the adsorption/desorption
potential of fatty acids, C8-10, C12-18-alky esters (CAS 95912-86-0) are
available. As the substance is composed of different homologues, the log
Koc values were calculated for representative components using KOCWIN
v2.00 based on the Molecular Connectivity Index (MCI) (Müller, 2011).
This model has no universally accepted definition of model domain, but
since three out of four components are outside the log Kow range of the
training set of the MCI model, the results should be taken with caution.
The definite values may not be fully reliable, but indicate a high
adsorption potential, which is also to be expected based on the high log
Kow (≥ 8.72). However, the value for the smaller constituent (C8 fatty
alcohol and C12 fatty acid chain length), which is within the training
set, is fully reliable and indicates a high potential for adsorption
(log Koc 4.94). Since the log Koc increases with the length of the fatty
acid chain, it can be assumed that the adsorption potential of fatty
acids, C8-10, C12-18-alky esters is high.
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