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Partition coefficient

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Description of key information

The logKow of HMTBA was predicted by QSAR EPIWIN to be -0.07.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.07

Additional information

The solution of HMTBA is acidic; thus, the direct shake flask method (OECD 107) cannot be used, since HMTBA can to some extent form an ester with octanol: the esterification of octanol by HMTBA during shaking and phase separation cannot be excluded.

The presence of HMTBA in the organic phase would then result from a phenomenon other than mere solubility, thus rendering the test meaningless.

The HPLC test is likely to be made difficult to implement, because of the presence of at least four molecular species in the organic phase, with various elution times, making it difficult to determine a partition coefficient for monomer HMTBA.

The technical difficulties expected in the measurement of the octanol-water partition coefficient for HMTBA justify it to be evaluated by means of a QSAR

The logKow of HMTBA was predicted by QSAR EPIWIN to be -0.07.