Benzyl propionate

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:

Data is from experimental study 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 propionate (CAS No. 122-63-4) 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 (IUPAC name): Benzyl propionate
- Molecular formula: C10H12O2
- Molecular weight: 164.203 g/mol
- SMILES: c1(COC(CC)=O)ccccc1
- InChI: 1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- Substance type: Organic
- Physical state: Liquid
- Batch: 2014030601 R-87
- Purity: 99.79% (GLC)
- Physical Appearance: Colourless liquid
- Stability: Stable in recommended storage conditions
- Storage Conditions: Store in cool, dry and ventilated area away from heat sources and protected from light in tightly closed original container. Keep air contact to a minimum.

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

2.803

Temp.:

25 °C

pH:

6.81

Remarks on result:

other: Log Pow value reported as 2.803± 0.004

Details on results:

The Log Pow of Benzyl Propionate (CAS No. 122-63-4) was determined to be 2.803± 0.004 at 25°C.

Table: Results of test substance

Test substance  Benzyl propionate		k	Log k	Log Pow by Calibration Graph	Mean of Log Pow± S.D.
tR1	1.746	0.856	-0.067	2.806	2.803± 0.004
tR2	1.743	0.853	-0.069	2.800

 

Conclusions:

The partition coefficient of test substance Benzyl Propionate (CAS No. 122-63-4) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 2.803± 0.004 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of chemical Benzyl Propionate (CAS No. 122 -63 -4) 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 50 mg of test item and diluted with mobile phase up to 100 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.81.The reference substances were chosen according to structural similarity with the test substance. The reference substances were Benzyl Alcohol, Phenol, Methyl benzoate, Ethyl benzene, Benzyl benzoate, n Butylbenzene having Pow value ranging from 1.1 to 4.6.The Log Pow value was determined to be 2.803± 0.004 at 25°C.On the basis of this value, the test substance Benzyl Propionate can be considered to be hydrophilic in nature.

Description of key information

The partition Coefficient n-octanol/water of chemical Benzyl Propionate (CAS No. 122 -63 -4) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals (Sustainability Support Service (Europe) AB, Report no. UERL/Pow-014/122-63-4/2015, 2015). A test item solution was prepared by accurately weighing 50 mg of test item and diluted with mobile phase up to 100 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.81.The reference substances were chosen according to structural similarity with the test substance. The reference substances were Benzyl Alcohol, Phenol, Methyl benzoate, Ethyl benzene, Benzyl benzoate, n Butylbenzene having Pow value ranging from 1.1 to 4.6.The Log Pow value was determined to be 2.803± 0.004 at 25°C.On the basis of this value, the test substance Benzyl Propionate can be considered to be hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.08

at the temperature of:

25 °C

Additional information

The partition Coefficient n-octanol/water of chemical Benzyl Propionate (CAS No. 122 -63 -4) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals (Sustainability Support Service (Europe) AB, Report no. UERL/Pow-014/122-63-4/2015, 2015). A test item solution was prepared by accurately weighing 50 mg of test item and diluted with mobile phase up to 100 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.81.The reference substances were chosen according to structural similarity with the test substance. The reference substances were Benzyl Alcohol, Phenol, Methyl benzoate, Ethyl benzene, Benzyl benzoate, n Butylbenzene having Pow value ranging from 1.1 to 4.6.The Log Pow value was determined to be 2.803± 0.004 at 25°C.On the basis of this value, the test substance Benzyl Propionate can be considered to be hydrophilic in nature.