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Physical & Chemical properties

Partition coefficient

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Description of key information

The Rekker calculation on a modified (shorter alkyl chain) di-amide component showed a logPow of 7.46. This value should however be treated with care as the actual longer alkyl chain (C49H99 vs. C10H21) represents a significantly more non-polar character of the substance. Hence, a significantly higher logPow value is to be expected.
KOWWIN v.1.67 estimated the logPow of several SMILES of substance components representatives to be higher than 10.

Key value for chemical safety assessment

Additional information

The Powof the modified test substance di-amide component was calculated to be 2.88´107

(log Pow7.46). This value should however be treated with care as the actual longer alkyl chain (C49H99vs. C10H21) represents a significantly more non-polar character of the substance. Hence, a significantly higher logPow value is to be expected. It is therefore deemed realistic to use the cut-off point of > 10 based on the KOWWIN model estimations.