Registration Dossier
Registration Dossier
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EC number: 210-826-5 | CAS number: 624-03-3
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 ethane-1,2-diyl palmitate (CAS 624-03-3) are available. Thus, the Koc values were calculated using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) (Müller, 2011).
This model has no universally accepted definition of model domain, but since the substance is 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 (14.16) and low water solubility (5.14E-010 mg/L). Additionally, log Koc was calculated for the substance decanoic acid, mixed diesters with octanoic acid and propylene glycol (CAS 68583-51-7), which has a similar structure as of ethane-1,2-diyl palmitate (similar alcohol component and for the shorter fatty acid chain (water solubility: < 0.05 mg/L; log Kow: 5.21).
Decanoic acid, mixed diesters with octanoic acid and propylene glycol fits in the domain of the training set, and the resulting Koc values 4.51 - 5.60 (based on Kow) and 3.79 - 4.82 (MCI) are reliable. The adsorption potential for ethane-1,2-diyl palmitate 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 ethane-1,2-diyl palmitate is high.
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