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EC number: 203-601-8 | CAS number: 108-63-4
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Log Pow > 8 at ca. 20 °C (Weight of Evidence: EU Method A.8, estimation method (solubility ratio) + (Q)SAR)
Key value for chemical safety assessment
Additional information
The octanol/water partition coefficient has been estimated from the ratio between the solubility in 1-octanol and in water, and using two independent (Q)SAR models (EPI Suite KOWWIN and VEGA ALogP). The value calculated by the KOWWIN model (log Pow = 8.12) was considered the most reliable one. An exact log Pow could not be estimated using the solubility ratio because the substance appeared completely miscible in octanol (solubility > 100000 mg/L). The value calculated by ALogP is considered of lower reliability because the substance does not fit completely with the applicability domain of the model.
A log Pow > 8 is taken as a conservative key value for the chemical safety assessment for this substance.
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