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Physical & Chemical properties

Partition coefficient

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Administrative data

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
27 November 1997
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
5.4
Temp.:
35 °C
Remarks on result:
other: no data on pH available
Details on results:
The test substance consists of 15 compounds (peaks), where each compound corresponds to one n-octanol/water partition coefficient (log Pow-value). For compounds (peaks) with retention times lower than thiourea (to= 0.72), the log k <0, i.e. log Pow <0. According to the CHARM Implementation Network (CIN), each compound/peak in the chromatogram contributing to equal to or > 5% to the test substance, should be taken into consideration (E&P Forum, 1997).
According to OSPAR (1995), the Pow, range for complex substances which are a group of homologs needs to be stated, and the Pow calculated based on the weighted average. The log Pow of the test substance is therefore presented by the log Pow = 5.4. Based on the single Pow values for each of the 15 compounds/peaks in the test substance and the corresponding area %, the calculated weighted average log Pow = 5.4.

Reference Substance

The reference substance, p-Cresol, was analyzed on 19.11.97. The log Pow-value was: 1.3.

Validation of Test Results

The test is considered valid if the following requirement is met:

• The values of log Pow of the test substance derived from the different measurements fall within a range of ± 0.1 log units.

In this test, the criterion was met.

Conclusions:
The logPow the test substance has been determined and the calculated average value is 5.4, covering the compounds (peaks) in the chromatogram contributing to equal to or > 5% to the test substance.
Executive summary:

Based on the OECD Guideline 117: "Determination of the n-octano/lwater partition coefficient by HPLC", the calculated weighted average log Powwas5.4, covering the compounds (peaks) in the chromatogram contributing to>5% to the test substance.

Description of key information

The logPow the test substance has been determined and the calculated average value is 5.4, covering the compounds (peaks) in the chromatogram contributing to equal to or > 5% to the test substance.

Key value for chemical safety assessment

Log Kow (Log Pow):
5.4
at the temperature of:
35 °C

Additional information

Based on the OECD Guideline 117: "Determination of the n-octano/lwater partition coefficient by HPLC", the calculated weighted average log Pow was 5.4, covering the compounds (peaks) in the chromatogram contributing to>5% to the test substance.