Benzyl 4-hydroxybenzoate

Partition coefficient

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

Justification for type of information:

Experimental test result performed using standard OECD Guideline.

Qualifier:

according to guideline

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 chemical Benzyl 4-hydroxybenzoate (CAS No.94-18-8 ) was determined by the Reverse Phase High Performance Liquid Chromatography 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 : Benzyl 4-hydroxybenzoate
- Molecular formula : C14H12O3
- Molecular weight : 228.2458 g/mol
- Smiles notation : c1ccc(cc1)COC(=O)c2ccc(cc2)O
- InChl : 1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2
- Substance type: Organic
- Physical state: Solid
- Batch no.: BZP-02/16-17
- Physical Appearance: creamy white crystalline powder odourless
- Purity: 99.23% (assay w/w(as C14H12O3)
- Stability: Stable in recommended 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:

2.185

Temp.:

25 °C

Remarks on result:

other: Log Pow value reported as 2.1853±0.002

Details on results:

The Partition coefficient (Pow) of the Benzyl 4-hydroxybenzoate (CAS No. 94-18-8 ) was determibed to be 2.1853 ± 0.002 at 25°C

Table 1: Results of test substance

Test substance		K	Log k	Log Pow by Generalized Calibration Graph	Mean of Log Pow± S.D.
tR1	1.476	0.5697	-0.2444	2.1842	2.1853±0.002
tR2	1.477	0.5707	-0.2436	2.1865

Conclusions:

The partition coefficient (n-octanol/water) of test substance Benzyl 4-hydroxybenzoate (CAS No. 94-18-8 )was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determibed to be 2.1853 ± 0.002 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of chemical Benzyl 4-hydroxybenzoate (CAS No. 94-18-8 ) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.35. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Phenol, Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 4-Acetylpyridine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value of the test chemical Benzyl 4-hydroxybenzoate was determined to be 2.1853 ± 0.002 at 25°C.

Description of key information

The partition Coefficient n-octanol/water of chemical Benzyl 4-hydroxybenzoate (CAS No. 94-18-8 ) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals (Experimental study report, 2108). A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.35. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Phenol, Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 4-Acetylpyridine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value of the test chemical Benzyl 4-hydroxybenzoate was determined to be 2.1853 ± 0.002 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.185

at the temperature of:

25 °C

Additional information

The partition Coefficient n-octanol/water of chemical Benzyl 4-hydroxybenzoate (CAS No. 94-18-8 ) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals (Experimental study report, 2108). A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.35. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Phenol, Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 4-Acetylpyridine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value of the test chemical Benzyl 4-hydroxybenzoate was determined to be 2.1853 ± 0.002 at 25°C.