Registration Dossier
Registration Dossier
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EC number: 293-026-9 | CAS number: 91050-80-5
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, C16-18, tetraesters with 3,3'-oxybis[1,2-propanediol] (CAS 91050-80-5) are available. Therefore, log Koc values were calculated for representative fatty acid components using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) (Hopp 2011, Marwitz 2012). The models have no universally accepted definition of model domain, but since the substance is outside the log Kow range of the training set of the MCI, the results should be taken with caution. The definite values may not be fully reliable, but indicate a high adsorption potential, which is also to be expected based on the high log Kow (> 10). However, the log Koc value for one similar component (Propane-1,2,3-triyltriheptanoate, Mayer 2013) characterized by a smaller fatty acid (C6 tri) constituent is within the training set and the result is fully reliable indicating a high potential for adsorption (log Koc 5.58, MCI). Since the log Koc increases with the length of the fatty acid chain, it can be assumed that the adsorption potential of Fatty acids, C16-18, tetraesters with 3,3'-oxybis[1,2-propanediol] is high.
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