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Partition coefficient

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Description of key information

The log Kow value of ISOPENTYRATE is predicted as follows : 3.4. 

Key value for chemical safety assessment

Log Kow (Log Pow):

Additional information

Partition coefficient, Log Kow, of the substance ISOPENTYRATE (CAS# 80118-06-5), has been calculated by the model iSafeRat® Holistic HA-QSAR v1.4.

The fragment contribution values relevant to the chemical structure of ISOPENTYRATE were added together to get the final log Kow prediction, and ISOPENTYRATE falls inside the Applicability Domain of the model.

Therefore, the Log Kow value of ISOPENTYRATE is predicted as 3.4.

The data is relevant for classification in aquatic chronic toxicity hazard class, according to CLP criteria. ISOPENTYRATE has low potential for bioaccumulation (log Kow<4).