Phenethyl benzoate

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 test guidelines

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

3.815

Temp.:

25 °C

pH:

6.7

Remarks on result:

other: logKow was reported to be 3.815±0.020

Details on results:

The Partition coefficient (Pow) of the test chemical was determined to be 3.815±0.020 at 25°C

Table: List of reference substance taken for the study.

Reference substances	tR1	tR2	Mean tR ± SD	K	log K	Log Pow
Formamide	1.065	1.064	1.065±0.001	NA	NA	NA
Acetophenone	1.553	1.553	1.553±0.000	0.459	-0.338	1.3
Ethylbenzene	2.970	2.947	2.959±0.016	1.779	0.250	3.6
Diphenylamine	2.448	2.447	2.448±0.001	1.299	0.114	3.0
Biphenyl	3.327	3.320	3.324±0.005	2.122	0.327	4.0
Benzophenone	2.213	2.205	2.209±0.006	1.075	0.031	2.8
Butylbenzene	5.145	5.140	5.143±0.004	3.831	0.583	5.0

Table: Partition coefficient of test chemical.

Test chemical		K	Log K	Log Pow	Mean of Log Pow ± S.D
R1	3.144	1.953	0.291	3.801	3.815±0.020
R2	3.178	1.985	0.298	3.829

Conclusions:

The partition coefficient(n-octanol/water) of test chemical was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.815 ± 0.020 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 sample of test chemical was prepared by adding 4 μL in acetonitrile to prepare 442.32 mg/L and pH of the resulting solution was 6.7. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Formamide, Acetophenone, Ethylbenzene, Diphenylamine, Biphenyl, Benzophenone and Butylbenzene having Pow value ranging from 1.3 to 5.0. The Log Pow value was determined to be 3.815 ± 0.020 at 25°C.

Description of key information

On the basis of 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 sample of test chemical was prepared by adding 4 μL in acetonitrile to prepare 442.32 mg/L and pH of the resulting solution was 6.7. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Formamide,Acetophenone, Ethylbenzene, Diphenylamine, Biphenyl, Benzophenone and Butylbenzenehaving Pow value ranging from 1.3 to 5.0. The Log Pow value was determined to be 3.815 ± 0.020 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

3.815

at the temperature of:

25 °C

Additional information

On the basis of available data from study report, thepartition 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 sample of test chemical was prepared by adding 4 μL in acetonitrile to prepare 442.32 mg/L and pH of the resulting solution was 6.7. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Formamide,Acetophenone, Ethylbenzene, Diphenylamine, Biphenyl, Benzophenone and Butylbenzenehaving Pow value ranging from 1.3 to 5.0. The Log Pow value was determined to be 3.815 ± 0.020 at 25°C.