Diphenylacetonitrile

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 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:

2.759

Temp.:

25 °C

pH:

6.85

Remarks on result:

other: logKow was reported to be 2.7589 ± 0.002

Details on results:

The Partition coefficient (Pow) of the test chemical was determined to be 2.7589 ± 0.002 at 25°C.

Test substance		K	Log k	Log Pow by Generalized Calibration Graph	Mean of Log Pow ± S.D.
tR1	1.889	1.0080	0.0038	2.7603	2.7589± 0.002
tR2	1.887	1.0060	0.0029	2.7576

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 2.7589 ± 0.002 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. A test chemical solution was prepared by accurately weighing 4 mg of test chemical and diluted with ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.85. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Benzene, Biphenyl, 4-Acetylpyridine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 2.7589 ± 0.002 at 25°C.

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. A test chemical solution was prepared by accurately weighing 4 mg of test chemical and diluted with ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.85. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Benzene, Biphenyl, 4-Acetylpyridine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 2.7589 ± 0.002 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.795

at the temperature of:

25 °C

Additional 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. A test chemical solution was prepared by accurately weighing 4 mg of test chemical and diluted with ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.85. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Benzene, Biphenyl, 4-Acetylpyridine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 2.7589 ± 0.002 at 25°C.

Additional study from handbook and authoritative databases indicates that the partition coefficient of the test chemical was estimated to be 3.2.