Registration Dossier
Registration Dossier
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EC number: 227-876-9 | CAS number: 6021-61-0
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:
- November from 07th to 08th, 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:
- adopted 13 April 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 4.03
- Temp.:
- 25 °C
- Remarks on result:
- other: HPLC test
- Details on results:
- The determined log Pow: 4.03 ± 0.001 (95 % confidence interval).
The estimated Pow: 10666 ± 32.85 (95 % confidence interval).
Quality criteria were met as values of log Pow derived from individual measurements fell within a range of 0.1 log units. - Conclusions:
- log Pow: 4.03 ± 0.001 (95 % confidence interval) at 25 °C.
Pow: 10666 ± 32.85 (95 % confidence interval) at 25 °C. - Executive summary:
The purpose of the study was to determine the partition coefficient of test item using HPLC method. The partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system. In the case of HPLC analysis, there is a partitioning between the mobile solvent phase and the hydrocarbon stationary phase. The relationship between the retention time on a reverse-phase column and the n-octanol/water partition coefficient is established.
In the course of the study, the partition coefficient (Pow) of test item was determined using high performance liquid chromatography at 25 °C.
The determined log Pow was 4.03 ± 0.001 (95 % confidence interval) and the Pow resulted to be 10666 ± 32.85 (95 % confidence interval).
Conclusion
log Pow: 4.03 ± 0.001 (95 % confidence interval).
Pow: 10666 ± 32.85 (95 % confidence interval).
Reference
Measured and calculated data of test item
| Test item | Retention time (min) | log k | log Pow | Pow | Repeatability log unit |
| Test item | 8.01 | 0.589 | 4.03 | 10645 | 0.002 |
| 8.01 | 0.589 | 4.03 | 10645 | ||
| 8.01 | 0.589 | 4.03 | 10645 | ||
| 8.01 | 0.589 | 4.03 | 10645 | ||
| 8.02 | 0.59 | 4.03 | 10706 | ||
| 8.02 | 0.59 | 4.03 | 10706 | ||
| Mean | 8.01 | 0.59 | 4.03 | 10666 | - |
| Conf.int.(95 %) | - | - | 0.001 | 32.85 | - |
| CV % | 0.06 | - | - | - | - |
Description of key information
log Pow: 4.03 ± 0.001 (95 % confidence interval)
Pow: 10666 ± 32.85 (95 % confidence interval)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.03
- at the temperature of:
- 25 °C
Additional information
OECD 117 - HPLC method
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