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Environmental fate & pathways

Adsorption / desorption

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Description of key information

log Koc: > 3 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No experimental studies investigating the adsorption/desorption potential ofFatty acids, rape-oil, mixed esters with 1,4:3,6-dianhydro-d-glucitol, sorbitan and sorbitol (CAS 93334-10-2)are available. Therefore, the log Koc values were calculated using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) (Müller, 2014). The model has no universally accepted definition of the model domain. Some components of the complex UVCB substance were outside of the domain of the training set (log Pow of the training set: -2.11 - 9.10). The C18 unsaturated fatty acid monoester component with 1,4:3,6-dianhydro-d-glucitol and the C18 unsaturated fatty acid monoester component with sorbitan are within the training set and the calculation is therefore valid and can be used for the assessment of adsorption behavior (smallest components of UVCB substance). The calculation for these two components resulted in log Koc values of 3.38 and 3.85 indicating potential for adsorption to sediment particles. Since the log Koc increases with the length of the C-chain, it can be assumed that the adsorption potential ofFatty acids, rape-oil, mixed esters with 1,4:3,6-dianhydro-d-glucitol, sorbitan and sorbitolis high.