Registration Dossier
Registration Dossier
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EC number: 939-581-9 | CAS number: 1471314-81-4
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:
- 30/07/2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: Method A.6 "Water Solubility. Flask Method" replacing water as solvent for 1-octanol.
- Deviations:
- no
- Principles of method if other than guideline:
- The solubility in water and the solubility in 1-octanol was determined. The partition coefficient was calculated based on these values.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: Method A.6 "Water Solubility. Flask Method" replacing water as solvent for 1-octanol
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: UV spectrophotometry
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.27
- Temp.:
- 20 °C
- Remarks on result:
- other: No data on pH mentioned in the test report
- Details on results:
- The solubility in octanol of the test substance was determined as 19.6 g/L.
As per sponsors request, the partition coefficient was estimated from the individual solubility of the test material in water and octanol.
The formal solubility of the test material in octanol was determined as 19.6 g/L. The solubility of the sample in water was also determined as 1.05 g/L during the formal analysis. - Conclusions:
- The partition coefficient is Pow = 18.6 (log Pow = 1.27) determined by UV spectrophotometry
- Executive summary:
Taking into account the solubility of the test substance in water and the solubility of the test substance in 1-octanol, the partition coefficient was calculated.
The partition coefficient (P) is defined as the ratio of the equilibrium concentrations (c) of a dissolved substance in a two-phase system consisting of two largely immiscible solvents. In the case n-octanol and water:
Pow = Cn-octanol/Cwater
The following values have been used for the calculation:
Water solubility: 1.05 g/l at 20 ºC
1 -octanol solubility: 19.6 g/l at 20 ºC
Therefore, the partition coefficient is Pow = 18.6 (log Pow = 1.27).
Reference
Description of key information
The solubility in water and the solubility in 1-octanol was determined. The partition coefficient was calculated based on these values. The maximum solubility in octanol was determined in a study comparable to A.6 test for water solubility (Younis, 2013).
The 1-octanol solubility of the test material determined at 20.0 ± 0.5 ºC was 19.6 g/l. Taking into account the solubility of the test substance in water (1.05 g/l at 20 ºC) and the solubility of the test substance in 1 -octanol, the partition coefficient was calculated. Therefore, the partition coefficient is Pow = 18.6 (log Pow = 1.27).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.27
- at the temperature of:
- 20 °C
Additional information
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