Registration Dossier
Registration Dossier
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EC number: 943-007-2 | CAS number: -
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc: 4.08 – 5.64 (QSAR)
Key value for chemical safety assessment
Additional information
Experimental data on the adsorption potential of Fatty acids, C12-18, even numbered, 3-methylbutyl esters (CAS 1314763-50-2) are not available. Values calculated with KOCWIN Program (v2.00) indicate that the substance might adsorb to suspended particles and soil (Birkhofer, 2015). Calculations for the substance main components based on the molecular connectivity index (MCI) resulted in log Koc values ranging from 4.08 – 5.64. The log Pow values estimated for the C18 FA component (log Pow 10.12) is outside the Pow range of the training set of the MCI method (log Pow: -2.11 - 9.10). Therefore the log Koc values obtained for the component should be considered with caution. The definite values may not be fully reliable but indicate a high adsorption potential. Generally, longer fatty acid C-chain lengths and higher degrees of esterification (diester, triester) are expected to show higher adsorption potential than shorter fatty acids chains or monoester fatty acids, for which reliable values are available. Considering the estimated log Koc range for this substance of 4.08 – 5.64, the substance has a potential for adsorption.
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