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EC number: 272-657-3 | CAS number: 68901-15-5
No experimental studies investigating the adsorption potential of the substance are available. Therefore, the adsorption indicator log Koc was calculated using two models provided in KOCWIN v2.00 (Molecular Connectivity Index (MCI) model and log Kow based model). The QSAR calculations were within the applicability domain of the models. The log Koc based on the MCI method was 1.99 while the log Koc based on the log Kow method was 2.32. These values indicate a low to moderate adsorption potential of the substance to organic particles in soils and sediments. Based on the two methods, a mean log Koc of 2.18 was calculated, which will be used for further assessment.
log Koc = 2.18 (arithm. mean of MCI and Log Kow based models, KOCWIN v2.00)
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