Registration Dossier
Registration Dossier
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EC number: 306-522-8 | CAS number: 97281-23-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Log Koc: 3.35 - 8.79 (C16 – C18 monoester and diester) based on MCI, KOCWIN v2.00
Key value for chemical safety assessment
Additional information
No experimental studies investigating the adsorption/desorption potential of fatty acids, C16-18, 2-hydroxyethyl ester, (CAS 97281-23-7) are available. Therefore, the Koc was calculated using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) and the log Pow. Based on the expected composition of the reaction mass, the QSAR calculation was conducted for 4 main constituents: C16 monoester component of Fatty acids, C16-18, 2-hydroxyethyl esters, C18 monoester component of Fatty acids, C16-18, 2-hydroxyethyl esters, C16 diester component of Fatty acids, C16-18, 2-hydroxyethyl esters and C18 diester component of Fatty acids, C16-18, 2-hydroxyethyl esters . The results of the QSAR calculation for the monoesterified substances resulted a logKoc values between 3.35 and 8.79 (based on MCI). The logKoc values based on logPow were calculated to be between 3.91 and 9.71. The definite values indicate a relatively high adsorption potential for the substance.
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