Registration Dossier
Registration Dossier
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EC number: 278-717-5 | CAS number: 77538-19-3
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc = 4.1-17.3 (KOCWIN v2.00)
Key value for chemical safety assessment
Additional information
No experimental data evaluating the adsorption potential of docosanoic acid, ester with 1,2,3-propanetriol (CAS No. 77538-19-3) are available. Since the substance is a complex UVCB substance, QSAR estimations using the KOCWIN v2.00 program have been calculated for representative fatty acid components (C22 mono-, di- and triester). Log Koc values range from 4.1 to 17.3 (López Parrón, 2012). The estimated log Kow values of the C22 diester and triester components (≥ 18) are outside the Kow range of the training set of the MCI method (-2.11-9.10), and therefore the obtained values should be taken with caution. The definite values may not be fully reliable but indicate a high adsorption potential, which is confirmed by the reliable value obtained for the C22 monoester component (log Koc 4.1, within the applicability domain of the method). Since the adsorption potential is expected to be higher at longer fatty acid C-chain length and degree of esterification, the log Koc value of the C22 monoester component is considered a valid indicator to state that the overall adsorption potential of docosanoic acid, ester with 1,2,3-propanetriol is expected to be high.
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