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Partition coefficient

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Description of key information

Partition coefficient: Log Pow  > 10 (calculated)

Key value for chemical safety assessment

Additional information

In a preliminary test, a moderate solubility in n-octanol and a very poor solubility in water was found indicating a partition coefficient above 4. Hence, a main test according to OECD Guideline 107 could not be performed. Also the HPLC method as described in OECD Guideline 117 was not possible, because the HPLC method uses a solvent mixture of acetonitrile and tertahydrofurane as eluent.

Therefore, the partition coefficient was calculated based on the theoretical fragmentation of the molecule.

For the component with the shortest chain length a logPow of 12.12 was estimated, while for the other two components a log Pow of 14.08 and 16.05 was derived.