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Partition coefficient

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Description of key information

A weight of evidence approach identified the octanol/water partition coefficient (log value) for 2,6-xylenol to be 2.3 at ambient temperature.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.3
at the temperature of:
20 °C

Additional information

This endpoint is addressed on a weight of evidence basis. Three pieces of data are provided.

 

The first value was taken from the fourth edition of the Verschueren Handbook of Environmental Data on Organic Chemicals, which identifies the log Pow (octanol) of 2,6-xylenol as 2.36. As this is data from a non-peer reviewed source, it was awarded a reliability score of 4 in accordance with the criteria for assessing data quality as set forth by Klimisch et al. (1997).

 

The second value provided was sourced from the SRC PhysProp Database, which identifies the log Pow (octanol) of 2,6-xylenol as 2.36. As this is data from a peer reviewed source, it was awarded a reliability score of 2 in accordance with the criteria for assessing data quality as set forth by Klimisch et al. (1997).

 

The third value was taken from Japan’s National Institute of Technology and Evaluation database, which identifies the partition coefficient (n-octanol/water) of 2,6-xylenol to be an average of 2.33 (log Kow ) using the Flask Shaking method (OECD 107).

 

The peer reviewed data are supported by the log Kow value of 2.36 from the non-peer reviewed handbook. As it cannot be confirmed that the log Kow values of 2.36 results from different sources, the log Kow of 2.33 which was determined by the flask method in accordance with the standardised guideline OECD 107 has been selected as the appropriate value to use for risk assessment purposes. The temperature of measurement was not reported, though it is anticipated that the experiments were performed under ambient conditions.

Following the relatively high pKa value of 2,6-xylenol, a pH dependency within the environmentally relevant pH range is not expected.