Registration Dossier
Registration Dossier
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EC number: 827-277-8 | CAS number: 1771689-37-2
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:
- 2019-06-24 to 2019-08-13
- 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
- Qualifier:
- according to guideline
- Guideline:
- other: A.24. Partition Coefficient (n-Octanol/Water), High Performance Liquid Chromatography (HPLC) Method
- Version / remarks:
- Commission Regulation (EU) 2016/266 A.24. Partition Coefficient (n-Octanol/Water), High Performance Liquid Chromatography (HPLC) Method, EC Publication No. O.J. L54/1, 01 March 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- August 1996
- 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:
- 9.674
- Temp.:
- 30 °C
- Remarks on result:
- other: pH not determined
- Details on results:
- The three series of calibration and three test item series were measured alternately.
The capacity factors (k) were calculated from the dead time and retention times of the reference compounds. The log k data of the reference compounds were plotted against their log Pow values.
The equation of the curve fitted to the calibration points is as follows:
log k = 0.257 x log Pow - 0.870 (R^2 = 0.968)
The capacity factors log k and log Pow for the sample were calculated based on the calibration data obtained using the reference compounds.
The calculated log Pow of the test item is higher than that of the reference compounds, therefore extrapolation was needed. The confidence limit for 95% confidence interval of the regression line was calculated - Conclusions:
- The determined log Pow: 9.674 ± 0.003 (95 % confidence interval).
The estimated Pow: 4717103019 ± 34302612 (95 % confidence interval).
Quality criteria were met as values of log Pow derived from individual measurements fell within the range of ± 0.1 log units. - Executive summary:
In the course of this study the partition coefficient (POW) of the sample was determined based on GLP-principles using high performance liquid chromatography according to OECD Guideline 117, EU Method A.24 and OPPTS 830.7570 at 30 °C.
The determined log POW is 9.674 ± 0.003 (95 % confidence interval) and the estimated POW is 4717103019 ± 34302612 (95 % confidence interval).
Reference
Description of key information
In the course of this study the partition coefficient (POW) of the sample was determined based on GLP-principles using high performance liquid chromatography according to OECD Guideline 117, EU Method A.24 and OPPTS 830.7570 at 30 °C.
The determined log POW is 9.674 ± 0.003 (95 % confidence interval) and the estimated POW is 4717103019 ± 34302612 (95 % confidence interval).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 9.674
- at the temperature of:
- 30 °C
Additional information
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