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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Data waiving:
study technically not feasible
Justification for data waiving:
the study does not need to be conducted because the substance decomposes
Justification for type of information:
JUSTIFICATION FOR DATA WAIVING
In accordance with Column 2 of Annex VII Section 7.8 and Section 2 of Annex XI of the REACH regulation the test cannot be performed as the substance decomposes.

Description of key information

Waived: Study technically not feasible. Calculated values of log Pow for parent and expected/stable daughter product are given.

Key value for chemical safety assessment

Additional information

In accordance with Column 2 of REACh Annex VII, if the testing cannot be performed due to decomposition in water, a calculated value of log Pow should be provided as well as details fo the calculation method.

As significant technical difficulties exist and the presence of the actual named test substance in aqueous solution is doubtful, the current OECD Guidelines 107 or 117 are not suitable for determining the octanol-water partition coefficient of this compound. Therefore, testing was not conducted and data was generated by property-estimation software (e.g., KOWWIN version 1.67). During the preliminary test, the log Pow of the test item was estimated by a calculation method based on the theoretical fragmentation of the molecule into substructures for which reliable log Pow increments are known. The log Pow is obtained by summing the fragment values and the correction terms for intramolecular interactions. The log Pow was estimated to be 11.0. However, because this substance will not exist in contact with water, the log Pow of the expected/stable daughter product (2-ethylhexylthioglycolate) was also calculated and was determined to be 3.68.