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Partition coefficient

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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
Justification for type of information:
Experimental test result performed using standard OECD test guidelines
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Batch no.: 0001
- Purity: 98.04%
- Physical Appearance: colorless liquid
- Stability: Stable in recommened storage conditions
- Storage Conditions: 1. Ambient Temp (23 to 27 °C) (Keep container tightly closed in a dry & well-ventilated place. Store in cool place. Do not expose to air, light & moisture.)
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.433
Temp.:
25 °C
pH:
6.68
Remarks on result:
other: LogKow was reported to be 2.433 ± 0.004
Details on results:
The Partition coefficient (Pow) of the test chemical was determined to be 2.433 ± 0.004 at 25°C.

Test substance

K

LogK

Log Pow by Generalized Calibration Graph

Mean of logPow ± S.D

Tr1

1.816

1.021

0.009

2.436

2.433± 0.004

Tr2

1.819

1.024

0.010

2.430

Conclusions:
The partition coefficient(n-octanol/water) of test substance was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 2.433 ± 0.004 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.

The reference substances were Acetanilide, Acetophenone, Benzophenone, Phenol, Benzene, Biphenyl, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Bromo benzene, 2,3-Dichloroaniline, 2 -Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, Benzyl alcohol, Naphthalene, Diphenyl ether, Allyl phenyl ether, n-Butylbenzene having Pow value ranging from 1 to 4.6. The Log Pow value of the test chemical was determined to be 2.433 ± 0.004 dimensionless at 25°C. On the basis of this value, test chemical can be considered to be hydrophilic in nature.

Description of key information

Based on the available data from study report,the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Acetanilide, Acetophenone, Benzophenone, Phenol, Benzene, Biphenyl, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Bromo benzene, 2,3-Dichloroaniline, 2 -Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, Benzyl alcohol, Naphthalene, Diphenyl ether, Allyl phenyl ether, n-Butylbenzene having Pow value ranging from 1 to 4.6. The Log Pow value of the test chemical was determined to be 2.433 ± 0.004 dimensionless at 25°C. On the basis of this value, test chemical can be considered to be hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.433
at the temperature of:
25 °C

Additional information

Based on the available data in a key study from study report, the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Acetanilide, Acetophenone, Benzophenone, Phenol, Benzene, Biphenyl, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Bromo benzene, 2,3-Dichloroaniline, 2 -Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, Benzyl alcohol, Naphthalene, Diphenyl ether, Allyl phenyl ether, n-Butylbenzene having Pow value ranging from 1 to 4.6. The Log Pow value of the test chemical was determined to be 2.433 ± 0.004 dimensionless at 25°C.

In a supporting study from authoritative database, the partition coefficient (log Pow) value of the test chemical was determined to be 1.71.

Additional study from handbook, peer reviewed journal, authoritative and modelling database indicates that the octanol waterpartition coefficient (log Pow) value of the test chemical was estimated to be 1.85.

In an another supporting study fromhandbook, peer reviewed journal and authoritative database, the partition coefficient (log Pow) value of the substance was estimated to be 1.73.

Thus, based on the available information, the logPow valueof the test substance ranges from 1.71 to 2.433, respectively. On the basis of this value, test chemical can be considered to be hydrophilic in nature.