Registration Dossier
Registration Dossier
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EC number: 271-729-1 | CAS number: 68606-18-8
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 experimental data evaluating the adsorption potential of Glycerides, mixed coco, decanoyl and octanoyl (CAS No. 68606-18-8) are available. Since the substance is an UVCB substance, QSAR estimations using the KOCWIN v2.00 program have been calculated for representative fatty acid components. Log Koc values range from 6.4 (C8 tri- component) to 12.6 (C16 tri- component)(López Parrón, 2012). These models have no universally accepted definition of model domain, but since all components are outside the Kow range of the training set of the MCI method, 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 estimated log Kow (> 9.2) and low water solubility (< 0.05 mg/L) of the substance. Additionally, the log Koc was calculated for propane-1,2,3-triyl trisheptanoate (CAS No. 620-67-7), structurally related monoconstituent substance (in accordance with Regulation (EC) No. 1907/2006, Annex XI, 1.5) formed by esterification of C7 fatty acids and glycerol (triglyceride, water solubility < 0.05 mg/L; log Kow 8.86). Propane-1,2,3-triyl trisheptanoate fits in the domain of the training set of the MCI method, and the resulting Koc value of 5.6 is reliable. The adsorption potential of Glycerides, mixed coco, decanoyl and octanoyl is expected to be higher, due to the longer C-chains of its main fatty acid components. Based on this information, it can be assumed that the overall adsorption potential of Glycerides, mixed coco, decanoyl and octanoyl will also be high.
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