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Environmental fate & pathways

Adsorption / desorption

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Description of key information

log Koc: > 5 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No experimental studies investigating the adsorption/desorption potential of fatty acids, C16-18, 2-octyldodecyl esters (CAS 96690-38-9) 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. Since the 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 (> 10). However, the log Koc value for one component of a LCAE category member (fatty acids, C8-10, C12-18-alkyl esters, CAS 95912-86-0) characterized by a smaller fatty alcohol (C8) and fatty acid (C12) constituent is within the training set and the result is fully reliable indicating 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, C16-18, 2-octyldodecyl esters is high.