Registration Dossier
Registration Dossier
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EC number: 210-647-2 | CAS number: 620-67-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc = 5.6 (MCI) (KOCWIN v2.00)
log Koc = 5.7 (log Kow) (KOCWIN v2.00)
Key value for chemical safety assessment
Additional information
No experimental data evaluating the adsorption potential of propane-1,2,3-triyl trisheptanoate (CAS No. 620-67-7) are available. Therefore, QSAR estimations using the KOCWIN v2.00 program have been performed instead based on molecular connectivity index (MCI)(log Koc 5.6) and log Kow (log Koc 5.7)(López Parrón, 2012). The experimental log Kow of the substance (8.86) is outside the Kow range of the training set of the log Kow method (-2.11-8.12), and therefore the obtained value should be taken with caution. This value may not be fully reliable but indicates a high adsorption potential, which is confirmed by the reliable value obtained with the MCI method (within the applicability domain). Since both values are comparable, it can be stated that propane-1,2,3-triyl trisheptanoate shows high potential for adsorption to soil and sediment particles.
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