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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
other: EU Method A.8. (Estimation method)
Deviations:
no
Principles of method if other than guideline:
The solubility of the test item in n-octanol and in water is determined. The quotient of the n octanol solubility and the water solubility is an estimation of the Pow. The estimation method can be applied if the shake flask method and HPLC method are not applicable.
GLP compliance:
yes
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 0101891886
- Expiration date of the lot/batch: 02 November 2017

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability under test conditions: stable
- Solubility and stability of the test substance in the solvent/vehicle: Not indicated

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
Test item dosing formulations (w/w) were homogenized to visually acceptable levels at appropriate concentrations to meet dose level requirements.
Analytical method:
liquid chromatography
Type:
log Pow
Partition coefficient:
> 0.69
Temp.:
20 °C
Remarks on result:
other: The Pow vallog Pow of Dimethyl-n-propylphosphonate
Type:
log Pow
Partition coefficient:
> 4.6
Temp.:
20 °C
Remarks on result:
other: Pow of Dimethoxyposphoryloctadecanoic acid (Mono PFA
Conclusions:
The estimation method was applied for the determination of the partition coefficient (Pow) of Fatty acids, C18-unsatd., phosphates.
The Pow value of the test item component Dimethyl-n-propylphosphonate at 20°C was > 4.95. It corresponds with a log Pow value of > 0.69.
The Pow value of the test item component Dimethoxyposphoryloctadecanoic acid (Mono PFA) at 20°C was > 4.34 x 104. It corresponds with a log Pow value of > 4.6.
Executive summary:

The objective of this study was to determine the partition coefficient (log Pow) for Fatty acids, C18 -unsatd., phosphates following EC Guideline A.8 and GLP. Since the test item is an UVCB with expected surface active properties (based on the composition), the partition coefficient was measured by the estimation method based on the two main components that covered the wide partition coefficient range, i.e. Dimethyl-n-propylphosphonate and Dimethoxyphosphoryloctadeconaoic acid (mono-PFA) with an expected low and high partition coefficient, respectively. The Powvalue of the test item componentDimethyl-n-propylphosphonateat 20°C was > 4.95. It corresponds with a log Powvalue of > 0.69. The Powvalue of the test item componentDimethoxyposphoryloctadecanoic acid (Mono‑PFA)at 20°C was > 4.34 x 104. It corresponds with a log Powvalue of > 4.6.

 

Description of key information

The estimation method was applied for the determination of the partition coefficient (Pow) of Fatty acids, C18-unsatd., phosphates following EC Guideline A.8 and GLP principles.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.6
at the temperature of:
20 °C

Additional information