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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
not specified
Principles of method if other than guideline:
The Pow was determined as part of an OECD inter-laboratory comparison test of the HPLC method which later became the basis for OECD guideline 117.
The good correlation of the retention time, respectively the capacity factor which is deduced from the retention time, with the partition coefficient n-octanol/water allows the use of the HPLC method for determining the Pow of a compound. The partition coefficient of the test compound can thus be read from a log-log plot with the known partition coefficients of the selected reference substances on one axis and the capacity factors on the other.
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
4.6
Remarks on result:
other: Temperature and pH not reported.
Conclusions:
The log Pow was determined to be 4.6 ± 0.2.
Executive summary:

The HPLC method was used to determine the log Pow of 2-ethylanthraquinone. The log Pow is 4.6 ± 0.2 .

Description of key information

The log Kow of 2-ethylanthraquinone was determined to be 4.6 ± 0.2.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.6

Additional information

The log Kow of 2-ethylanthraquinone is reported in two papers. Bruijn et al. (1989) determined the Kow with the slow-stirring method and Klein et al (1988) determined the Kow with the HPLC method which later became the basis for OECD TG 117. Both methods are suitable to determine relatively high Kows. The reported log Kows are 4.370 ± 0.037 (Bruijn et al, 1989) and 4.6 ± 0.2 (Klein et al, 1988), respectively. As the method used by Klein et al (1988) is similar to the present-day OECD TG 117, log Kow = 4.6 ± 0.2 was chosen as the key value for the chemical safety assessment. This value is supported by a QSAR predicting a log Kow of 4.38.

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