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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:
12 to 13 August 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
not specified
Type of method:
flask method
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: Nikita Pharmaceutical Specialities Pvt Ltd.
- Expiration date of the lot/batch: no data
- Purity test date: no data

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:
- Stability under test conditions:
- Solubility and stability of the test substance in the solvent/vehicle:
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium:

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: none
- Preliminary purification step (if any):
- Final dilution of a dissolved solid, stock liquid or gel:
- Final preparation of a solid:

FORM AS APPLIED IN THE TEST (if different from that of starting material)

TYPE OF BIOCIDE/PESTICIDE FORMULATION (if applicable)

OTHER SPECIFICS:
- measurement of pH, osmolality, and precipitate in the culture medium to which the test chemical is added:
- other information:
Key result
Type:
log Pow
Partition coefficient:
> 6
Temp.:
25 °C
Remarks on result:
other: no pH data
Details on results:
The test item was found to be immiscible in both water and octanol therefore formal testing was not possible. Estimation by software was performed.

The prediction software uses SMILES input to calculate the Partition Coefficient. In accordance with the test guidance the partition coefficient was estimated using prediction software (KOWWIN v1.68) as: Log Kow (KOWWIN v1.68 estimated) = 15.14
Conclusions:
The result has been estimated as logPow = > 6

Description of key information

The result has been estimated as logPow = > 6

Key value for chemical safety assessment

Log Kow (Log Pow):
6
at the temperature of:
25 °C

Additional information