Registration Dossier
Registration Dossier
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EC number: 270-472-2 | CAS number: 68441-68-9
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc: > 5.0 (KOCWIN v2.00)
Key value for chemical safety assessment
Additional information
No experimental studies investigating the adsorption/desorption potential Tetraesters of 2,2-bis(hydroxymethyl)propane-1,3-diol and decanoic and octanoic acid (CAS No. 68441-68-9) are available. Therefore, the adsorption potential is assessed on the basis of QSAR calculations using KOCWIN v2.00 (Molecular Connectivity Index (MCI) and log Kow method) for the two main components of the substance.
The models have no universally accepted definition of the model domain, but the substance is outside the log Kow range of the training set of the MCI and log Kow model. Therefore, the results should be considered with caution and are used in a weight of evidence approach, in accordance with the REACh Regulation (EC) No 1907/2006, Annex XI General rules for adaptation of the standard testing regime set out in Annexes VII to X, 1.2.
Estimations based on the MCI method resulted in log Koc values of 9.38 – 11.47 and the log Pow method resulted in log Koc values of 7.78 – 9.95. Thus, the obtained estimates may not be fully reliable, but indicate a high adsorption potential, which is also to be expected based on the high log Kow (> 10).
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