Registration Dossier
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EC number: 239-473-5 | CAS number: 15454-75-8
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:
- 02 June 2016 to 03 June 2016
- 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:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Controlled room temperature (15 to 25 ºC, below 70 RH %), protected from light. - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 1
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not specified
- 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 k = 0.356 × log Pow - 0.652 (Rsq = 0.956)
-The test material is eluting before the thiourea (t0) at 1.64 minutes therefore no accurate value can be given. The calculated log Pow is < 1.0 - Conclusions:
- Under the conditions of the study the calculated log Pow of the test material is < 1.0.
- Executive summary:
The partition coefficient of the test material was determined in accordance with the standardised guidelines OECD 117 and EU Method A.8 under GLP conditions using an HPLC method.
The test material was dissolved in ultrapure water to prepare 1 mg/mL concentration; this stock solution was diluted by 100 fold with eluent. Reference substances were dissolved in acetonitrile. Concentration of these stock solutions was about 1 mg/mL. The stock solutions were also diluted with the eluent by 100-fold.
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 test material is eluting before the thiourea (t0) at 1.64 minutes therefore no accurate value can be given.
Under the conditions of the study the calculated log Pow of the test material is < 1.0.
Reference
Description of key information
Under the conditions of the study the calculated log Pow of the test material is < 1.0.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1
- at the temperature of:
- 25 °C
Additional information
The partition coefficient of the test material was determined in accordance with the standardised guidelines OECD 117 and EU Method A.8 under GLP conditions using an HPLC method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
The test material was dissolved in ultrapure water to prepare 1 mg/mL concentration; this stock solution was diluted by 100 fold with eluent. Reference substances were dissolved in acetonitrile. Concentration of these stock solutions was about 1 mg/mL. The stock solutions were diluted with the eluent by 100-fold.
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 test material is eluting before the thiourea (t0) at 1.64 minutes therefore no accurate value can be given.
Under the conditions of the study the calculated log Pow of the test material is < 1.0.
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