Registration Dossier
Registration Dossier
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EC number: 204-534-7 | CAS number: 122-32-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Log Koc > 5
Key value for chemical safety assessment
Additional information
No experimental data evaluating the adsorption potential of 1,2,3-propanetriyl trioleate (CAS No. 122-32-7) are available. Since the substance is an UVCB substance, QSAR estimations using the KOCWIN v2.00 program have been calculated for the most representative fatty acid component (C18 tri- unsaturated). Log Koc values of 13.7 and 14.2 were obtained based on log Kow and molecular connectivity index (MCI), respectively (López Parrón, 2011).These models have no universally accepted definition of model domain, but since the component is outside the Kow range of the training sets of both methods, 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 log Kow (> 10) 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 < 5 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 for 1,2,3-propanetriyl trioleate is expected to be higher, due to the longer C-chain of its main fatty acid component (C18 tri- unsaturated). Based on this information, it can be assumed that the overall adsorption potential of 1,2,3-propanetriyl trioleate will also be high.
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