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Environmental fate & pathways

Adsorption / desorption

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Description of key information

Log Koc > 5 (based on Molecular Connectivity Index (MCI); KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No studies investigating the adsorption/desorption behaviour of Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane (CAS No. 95912-89-3) are available. Using KOCWIN Program (v2.00), log Koc values in the range of 6.68 to 8.65 were calculated for its main components based on the molecular connectivity index (MCI; Hopp, 2011). This model has no universally accepted definition of its model domain, but since the components are outside the Kow range of the training set, the results should be taken with caution. The definite values for the main components may not be fully reliable, but indicate a high adsorption potential of the UVCB substance, which is also to be expected based on the high calculated log Kow values (log Kow > 10, KOWWIN v1.68) and the low measured water solubility (< 0.05 mg/L) of the UVCB substance.

Additionally, a log Koc value was calculated for the Hexanoic acid triester with trimethylolpropane (Hopp, 2012) which has the same structure as the target substance, except for the shorter fatty acid chains. The substance fit in the domain of the training set of the MCI method and the resulting log Koc value 5.52 (based on MCI) is reliable. The adsorption potential for Fatty acids, C8-10, mixed esters with adipic acid and trimethylolpropane is expected to be higher, due to the length of the fatty acid chain. Based on this information, the adsorption potential of the target substance is assumed to be high.