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Environmental fate & pathways

Adsorption / desorption

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Description of key information

logKoc: > 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, isotridecyl esters (CAS 95912-88-2) are available. Therefore, the log Koc values were calculated using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) and the log Kow method (Müller, 2013). The models have no universally accepted definition of model domain, but since the substance is outside the log Kow range of the training set of the MCI and log Kow model, the results should be taken with caution. The definite values may not be fully reliable, but indicate a high adsorption potential (log Koc 7.21 - 7.75 (MCI); log Koc 8.09 - 8.63 (estimated from log Kow), which is also to be expected based on the high log Kow (> 10) of the test substance. 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, isotridecyl esters is high.