Trisodium hydrogen [2-[[α-[[3-[[4-chloro-6-[ethyl[3-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulphophenyl]azo]benzyl]azo]-4-sulphobenzoato(6-)]cuprate(4-)

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 study 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:

0.847

Temp.:

25 °C

Remarks on result:

other: Log Pow value reported as 0.847± 0.083

Details on results:

The Partition coefficient (Pow) of the test chemical was determined to be 0.847± 0.083 at 25°C

Table:

Test substance		K	Log K	Log Pow by Generalized Calibration Graph	Mean of Log Pow ± S.D.
Rt1	0.826	-0.111	-0.955	0.788	0.847±0.083
Rt2	0.823	-0.125	-0.904	0.906

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 0.847± 0.083 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography 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 Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.0. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4 -Dichloro benzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Dodecanoic acid, Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5. The Log Pow value was determined to be 0.847± 0.083 at 25°C.On the basis of this value, the test chemical was considered to be hydrophilic in nature.

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 Chromatography 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 Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.0. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4 -Dichloro benzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Dodecanoic acid, Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5. The Log Pow value was determined to be 0.847± 0.083 at 25°C.On the basis of this value, the test chemical was considered to be hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):

0.847

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 Chromatography 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 Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.0. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4 -Dichloro benzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Dodecanoic acid, Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5. The Log Pow value was determined to be 0.847± 0.083 at 25°C.On the basis of this value, the test chemical was considered to be hydrophilic in nature.