Registration Dossier
Registration Dossier
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EC number: 447-920-2 | CAS number: 897393-42-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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.
Reference
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).
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