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Partition coefficient

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Reference
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
Remarks:
Test method is according to EU guideline A.6 replacing water as solvent for 1-octanol and calculation of the partition coefficient.
Qualifier:
according to
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. certificate)
Type of method:
flask method
Remarks:
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 Amides, C12-18 (even-numbered), N-[3-(dimethylamino) propyl], N’-oxides 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:
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).

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).

Key value for chemical safety assessment

Log Kow (Log Pow):
1.27
at the temperature of:
20 °C

Additional information

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).