6-aminonaphthalene-2-sulphonic acid

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 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 test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117.

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:

0.603

Temp.:

25 °C

Remarks on result:

other: log Pow = 0.6032 ± 0.005

Details on results:

The Partition coefficient (Pow) of the test chemical was determined to be 0.6032 ± 0.005 at 25°C.

Reference substance	Log Pow	tR1	tR2	tR3	MeantR ± S.D.	k	Log k
Formamide	NA	0.977	0.922	0.922	0.9403±0.032	0	0
Benzene	2.1	1.771	1.775	NA	1.773±0.003	0.886	-0.0526
Biphenyl	4	2.822	2.841	NA	2.8315±0.013	2.011	0.3034
4-Acetylpyridine	0.5	1.076	1.077	NA	1.0765±0.001	0.1448	-0.8391
Toluene	2.7	2.103	2.104	NA	2.1035±0.001	1.237	0.0924
Ethylbenzene	3.2	2.519	2.527	NA	2.523±0.006	1.6831	0.2261
n-Butylbenzene	4.6	4.454	4.463	NA	4.4585±0.006	3.741	0.573
Naphthalene	3.6	2.388	2.393	NA	2.3905±0.004	1.5422	0.1881

Test substance		K	Log k	Log Pow by Generalized Calibration Graph	Mean of Log Pow ± S.D.
tR1	1.117	0.1878	-0.7261	0.5996	0.6032±0.005
tR2	1.118	0.1889	-0.7236	0.6069

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 0.6032 ± 0.005 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 item solution was prepared by accurately weighing 5 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 4.93. 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 0.6032 ± 0.005 at 25°C. Based on this value, it can be concluded that test chemical is 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 Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 5 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 4.93. 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 0.6032 ± 0.005 at 25°C. Based on this value, it can be concluded that test chemical is hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):

0.603

at the temperature of:

25 °C

Additional information

Based on the available data in a key study 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 item solution was prepared by accurately weighing 5 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 4.93. 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 0.6032 ± 0.005 at 25°C.

Additional study from authoritative and modelling databases indicates that the octanol water partition coefficient (log Pow) value of the test chemical was estimated to be -0.91 at 25°C.

Thus, based on the available information, the logPow valueof the test chemical ranges from -0.91 to 0.6, respectively. On the basis of this value, test chemical can be considered to be hydrophilic in nature.