Registration Dossier
Registration Dossier
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EC number: 807-276-9 | CAS number: 1421695-64-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guideline
- 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
Test material
- Details on test material:
- - Purity: >96%
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- >= 36 - <= 840
- Temp.:
- 25 °C
- Remarks on result:
- other: based on the mean values for each of 3 peaks
- Type:
- log Pow
- Partition coefficient:
- >= 1.56 - <= 2.92
- Temp.:
- 25 °C
- Remarks on result:
- other: based on the mean values for each of 3 peaks
- Details on results:
- The estimated log Pow and Pow are in the range of 1.56-2.92 and 36-840, respectively.
Applicant's summary and conclusion
- Conclusions:
- The estimated log Pow and Pow are in the range of 1.56-2.92 and 36-840, respectively.
- Executive summary:
The partition coefficient of the test substance was determined according to OECD Guideline 117. The partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system. In this case there is a partitioning between the mobile solvent phase and the hydrocarbon stationary phase. This enables the relationship between the retention time on a reverse-phase column and the n-octanol/water partition coefficient to be established. Three series of reference solutions were measured with two parallel injections, each. The retention times were determined. The three calibration series and three test item series were measured alternately. Three main peaks were used for the calculation of the Pow and log Pow of the test item.
The estimated log Pow and Pow based on the mean values for each peak are in the range of 1.56-2.92 and 36-840, respectively.
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