Dihydrogen (ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, aluminium salt

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 test Guideline.

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:

1.672

Temp.:

25 °C

pH:

2.48

Remarks on result:

other: log Pow = 1.6716±0.0

Details on results:

The Partition coefficient (Pow) of the test chemical was determined to be 1.6716 ± 0.0 at 25°C.

Table: Results of test chemical.

Test substance		K	Log k	Log Pow by Generalized Calibration Graph	Mean of Log Pow± S.D.
tR1	1.347	0.4325	-0.3640	1.6716	1.6716 ±0.0
tR2	1.347	0.4325	-0.3640	1.6716

Conclusions:

The partition coefficient of test chemical was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 1.6716 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 3 mg of test chemical and diluted with acetonitrile: water (9:1) up to 10 ml. Thus, the test solution concentration was 300 mg/l. The pH of test substance was 2.48. The reference substances were chosen according to functional group similarity with the test substance and calibration graph was prepared. The reference substances were benzene, biphenyl, 4 -acetylpyridine, toluene, ethylbenzene, n-butylbenzene and naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 1.6716 ± 0.0 at 25°C.

Description of key information

On the basis of 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 3 mg of test chemical and diluted with acetonitrile: water (9:1) up to 10 ml. Thus, the test solution concentration was 300 mg/l. The pH of test substance was 2.48. The reference substances were chosen according to functional group similarity with the test substance and calibration graph was prepared. The reference substances were benzene, biphenyl, 4 -acetylpyridine, toluene, ethylbenzene, n-butylbenzene and naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 1.6716 ± 0.0 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

1.672

at the temperature of:

25 °C

Additional information

On the basis of 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 3 mg of test chemical and diluted with acetonitrile: water (9:1) up to 10 ml. Thus, the test solution concentration was 300 mg/l. The pH of test substance was 2.48. The reference substances were chosen according to functional group similarity with the test substance and calibration graph was prepared. The reference substances were benzene, biphenyl, 4 -acetylpyridine, toluene, ethylbenzene, n-butylbenzene and naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 1.6716 ± 0.0 at 25°C.