Registration Dossier
Registration Dossier
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EC number: 291-445-1 | CAS number: 90411-68-0
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 studies investigating the adsorption/desorption behaviour of Hexanoic acid, 2-ethyl-, C16-18 alkyl esters (CAS No. 90411-68-0) are available. Using KOCWIN Program (v2.00), log Koc values of 6.73 - 7.27 and 5.95 - 6.47 were calculated, based on log Kow and on the molecular conductivity index (MCI; Hopp, 2011), respectively. These models have no universally accepted definition of its model domain, but since the main components are outside the Kow range of the training sets, 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 measured log Kow value for the UVCB substance (experimental log Kow = 5.82, calculated log Kow > 10) and the low measured water solubility (< 0.15 mg/L). However, the log Koc value for a smaller but chemically similar structure, Hexanoic acid, 2-ethyl C12 alkyl ester is within the training set and the result is fully reliable indicating a high potential for adsorption (log Koc 4.91 MCI). The adsorption potential of Hexanoic acid, 2-ethyl-, C16-18 alkyl esters is expected to be higher, due to the longer hydrocarbon side chains which increase the lipophilicity of the substance. Based on this information, it can be assumed that the adsorption potential of Hexanoic acid, 2-ethyl-, C16-18 alkyl esters (CAS No. 90411-68-0) is high.
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