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Environmental fate & pathways

Adsorption / desorption

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Description of key information

logKoc: > 3 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No experimental studies investigating the adsorption/desorption potential of fatty acids, tall-oil, triesters with trimethylolpropane (CAS 94581-09-6) 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, 2014). This model has no universally accepted definition of model domain, but since two out of three 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 (> 7.84). However, the value for the smaller constituent (C18 unsatd. monoester component), which is within the training set, is fully reliable and indicates a high potential for adsorption (log Koc 3.78). Since the log Koc increases with the C-chain length of the fatty acid chain, it can be assumed that the adsorption potential of fatty acids, tall-oil, triesters with trimethylolpropane is high.