Registration Dossier
Registration Dossier
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EC number: 812-652-0 | CAS number: 73947-34-9
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
logKoc: > 5 (KOCWIN v2.00)
Key value for chemical safety assessment
Additional information
No experimental studies investigating the adsorption/desorption potential of fatty acids, C8-10 (even numbered), di-and triesters with propylidynetrimethanol (CAS 11138-60-6) 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 (Müller, 2013). These models have no universally accepted definition of the model domain, but since the components are outside the log Kow range of the training set of the model, the results should be taken with caution. The definite values may not be fully reliable, but indicate a high adsorption potential (log Koc 7.10 - 8.65 (MCI)), which is also to be expected based on the high log Kow (> 2.7). However, read-across data from Ester reaction products of fatty acid, C5-10, pentaerythritol and dipentaerythritol, where a log Koc of 4 - 7 was established 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. Since the log Koc increases with the length of the fatty acid chain and the degree of esterification, it can be assumed that the adsorption potential of fatty acids, C8-10 (even numbered), di-and triesters with propylidynetrimethanol is high.
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