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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 2-Ethoxybenzoic Acid (CAS No. 134-11-2) 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:
- Name of test material (IUPAC name): 2-Ethoxybenzoic Acid
- Molecular formula: C9H10O3
- Molecular weight: 166.175 g/mol
- Smiles notation: CCOc1ccccc1C(=O)O
- InChl: 1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
- Substance type: Organic
- Physical state: Liquid
- Batch No./ Lot no.: EB-22/16-17
- Physical Appearance: Colourless liquid
- Purity: 99.52%(assay titrimetrically )
- Stability: Stable in recommended storage conditions
- Storage Conditions: Ambient Temp (23 to 27 °C) √ (Store in a cool place. Keep containers tightly closed in a dry and 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:
1.295
Temp.:
25 °C
pH:
6.1
Remarks on result:
other: logKow was reported to be 1.295 ± 0.008
Details on results:
The Partition coefficient (Pow) of the test chemical 2-ethoxy benzoic acid (pure) (CAS No. 134-11-2) was determined to be 1.295 ± 0.008 at 25°C.

Result:

Test substance

K

LogK

Log Pow by Generalized Calibration Graph

Mean of logPow ± S.D

Tr1

1.183

0.259

-0.588

1.300

1.295 ± 0.005

Tr2

1.181

0.256

-0.591

1.289

Conclusions:
The partition coefficient(n-octanol/water) of test chemical 2-ethoxy benzoic acid (CAS No. 134-11-2) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 1.295 ± 0.008 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of test chemical 2-ethoxy benzoic acid (CAS No. 134-11-2) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately pipetting 4 microliter of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 390 mg/l. The pH of test substance was 6.1. The reference substances were chosen according to functionally similarity with the test substance and calibration graph was prepared. The reference substances were 4-Acetylpyridine, Biphenyl, Diphenylamine, Dodecanoic acid, Naphthalene, n-Butylbenzene having Pow value ranging from 0.5 to 4.6.

The Log Pow value of the test chemical 2-ethoxy benzoic acid was determined to be 1.295 ± 0.008 dimensionless at 25°C. On the basis of this value, test chemical 2-ethoxy benzoic acid 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 2-ethoxy benzoic acid (CAS No. 134-11-2) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately pipetting 4 microliter of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 390 mg/l. The pH of test substance was 6.1. The reference substances were chosen according to functionally similarity with the test substance and calibration graph was prepared. The reference substances were 4-Acetylpyridine, Biphenyl, Diphenylamine, Dodecanoic acid, Naphthalene, n-Butylbenzene having Pow value ranging from 0.5 to 4.6. The Log Pow value of the test chemical 2-ethoxy benzoic acid was determined to be 1.295 ± 0.008 dimensionless at 25°C. On the basis of this value, test chemical 2-ethoxy benzoic acid can be considered to be hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.295
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 2-ethoxy benzoic acid (CAS No. 134-11-2) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately pipetting 4 microliter of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 390 mg/l. The pH of test substance was 6.1. The reference substances were chosen according to functionally similarity with the test substance and calibration graph was prepared. The reference substances were 4-Acetylpyridine, Biphenyl, Diphenylamine, Dodecanoic acid, Naphthalene, n-Butylbenzene having Pow value ranging from 0.5 to 4.6. The Log Pow value of the test chemical 2-ethoxy benzoic acid was determined to be 1.295 ± 0.008 dimensionless at 25°C.

Additional study from authoritative and modelling database indicates that the octanol waterpartition coefficient (log Pow) value of the test chemical 2-ethoxy benzoic acid was estimated to be 2.1.

Thus, based on the available information, the logPow valueof the test chemical 2-ethoxy benzoic acid ranges from 1.29 to 2.1, respectively. On the basis of this value, chemical 2-ethoxy benzoic acid can be considered to be hydrophilic in nature.