Registration Dossier
Registration Dossier
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EC number: 292-947-3 | CAS number: 91031-45-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
logKoc: > 3 (KOCWIN v2.00)
Key value for chemical safety assessment
Additional information
No experimental studies investigating the adsorption/desorption potential of fatty acids, C16-18, 1,2-ethanediylbis(oxy-2,1-ethanediyl) esters (3EO) (CAS 91031-45-7) are available. As the substance is composed of different homologues, the Koc values were calculated for the representative components using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) (Müller, 2011). This model has no universally accepted definition of model domain. Some components are outside the Kow range of the training set of the MCI model, 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 Kow (5.73 - 15.57) and low water solubility (< 0.05 mg/L). Nevertheless, the C16 and C18 monoester components fit in the domain of the training set and the resulting log Koc values of 3.18 (MCI; C16 monoester component) and 3.70 (MCI; C18 monoester component) are reliable. The adsorption potential for the C16 and C18 di-ester components is expected to be higher, due to the length of the fatty acid chain. Based on this information, it can be assumed that the adsorption potential of fatty acids, C16-18, 1,2-ethanediylbis(oxy-2,1-ethanediyl) esters (3EO) is high.
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