Registration Dossier
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EC number: 264-391-1 | CAS number: 63663-21-8
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:
- 07 September 2017 to 09 September 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: Regulation (EC) No 1907/2006 of the European Parliament and of the Council on the REACH Method A.24. “Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method”
- Version / remarks:
- Official Journal of the European Union L 54 of 01 March 2016
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.25
- Temp.:
- 25 °C
- pH:
- 5.4
- Key result
- Type:
- Pow
- Partition coefficient:
- 178 931
- Temp.:
- 25 °C
- pH:
- 5.4
- Details on results:
- - The three calibration series and three test material series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using 6 reference substances.
- The capacity factors k were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values. The equation of the curve fitted to the calibration points is as follows:
log Pow = 3.6213 × log k +1.2577 (R^2 = 0.9959)
- The capacity factor k and log Pow for the test material were calculated based on the calibration data obtained with the reference substances.
- The estimated log Pow: 5.25 ± 0.002 (with 95 % confidence interval). - Conclusions:
- Under the conditions of this study the log Pow of the test material is 5.25 ± 0.002 (with 95 % confidence interval).
- Executive summary:
The partition coefficient of the test material was investigated in accordance with the standardised guidelines OECD 117 and EU Method A.24, under GLP conditions using HPLC.
The three calibration series and three test material series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using 6 reference substances.
The capacity factor k and log Pow for the test material were calculated based on the calibration data obtained with the reference substances.
Under the conditions of this study the log Pow of the test material was 5.25 ± 0.002 (with 95 % confidence interval) and the Pow was 178931 calculated based on the calibration data obtained with the reference substances.
Reference
Table 1: Measured and Calculated Data of the Test Material
|
Retention Time (min) |
log k |
log Pow |
Pow |
Calculated Data |
||||
Test Material |
23.95 |
1.103 |
5.25 |
179126 |
23.96 |
1.104 |
5.25 |
179418 |
|
23.92 |
1.103 |
5.25 |
178251 |
|
23.93 |
1.103 |
5.25 |
178542 |
|
23.95 |
1.103 |
5.25 |
179126 |
|
23.95 |
1.103 |
5.25 |
179126 |
|
Mean |
23.94 |
1.103 |
5.25 |
178931 |
Conf. (95 %) |
0.02 |
- |
0.002 |
699 |
CV% |
0.1 |
- |
- |
- |
Description of key information
Under the conditions of this study the log Pow of the test material was 5.25 ± 0.002 (with 95 % confidence interval) and the Pow was 178931.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.25
- at the temperature of:
- 25 °C
Additional information
The partition coefficient of the test material was investigated in accordance with the standardised guidelines OECD 117 and EU Method A.24, under GLP conditions using HPLC. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
The three calibration series and three test material series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using 6 reference substances.
The capacity factor k and log Pow for the test material were calculated based on the calibration data obtained with the reference substances.
Under the conditions of this study the log Pow of the test material was 5.25 ± 0.002 (with 95 % confidence interval) and the Pow was 178931calculated based on the calibration data obtained with the reference substances.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
