Registration Dossier
Registration Dossier
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EC number: 305-758-9 | CAS number: 95009-31-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc: > 5 (KOCWIN v2.00)
Key value for chemical safety assessment
Additional information
No experimental studies investigating the adsorption/desorption potential of Fatty acids, C6-18, triesters with trimethylolpropane (CAS 91050-88-3) 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) and the log Kow (Mayer, 2011). The log Kow of the C6 fatty acid component is within the training indicating that the result is fully reliable whereas the C18 fatty acid component is outside the log Kow range of the training set of the model. the results should be taken with caution. The result for the smaller constituent (C6 fatty acid), indicates a high potential for adsorption (log Koc 5.5). Since the log Koc increases with the length of the fatty acid chain, it can be assumed that the adsorption potential of Fatty acids, C6-18, triesters with trimethylolpropane is high.
Further experimental read-across data from Ester reaction products of fatty acid, C5-10, pentaerythritol and dipentaerythritol, where a log Koc of 4 - 7 resulted in a guideline study according to OECD 121 under GLP conditions (Sydney, 2008) were used to strengthen this approach. The experimental data indicate that the read-across substance has a high potential for adsorption. This substance is considered to be comparable to the target substance since it is characterized by a slightly different alcohol component (pentaerythritol and dipentaerythritol compared to trimethylolpropane) and a smaller fatty acid chain length.
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