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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
03 October 2003 - 27 October 2003
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Batch: 8191-34
- Purity: 97.8% (expressed as primary amine, % of total)
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2
Temp.:
24 °C
pH:
11
Details on results:
In addition to the log Pow of the main component, two additional log Pow values were calculated for impurities in the submission substance as two additional small peaks were recorded in the HPLC chromatogram. Impurity 1: log Pow = 1.9; impurity 2: log Pow = 3.2.
Using mass spectrometric detection, the main peak in the HPLC chromatogram was identified as the submission substance.
Conclusions:
The log octanol/water partition coefficient of the substance was determined to be 2.0 at 24 °C.

Description of key information

The partition coefficient of the substance was determined in a GLP study according to test methods EC A.8 and OECD 117 to be 2.0 at 24 °C, following the HPLC method (Baltussen, 2004).

Key value for chemical safety assessment

Log Kow (Log Pow):
2
at the temperature of:
24 °C

Additional information

The pH of the mobile phase was 11 at which >90% of the substance is in its non ionised form. In addition to the log Pow of the main component, additional log Pow values could be calculated for two impurities (log Pow = 1.9 and 3.2).