Sodium 3-(p-anilinophenylazo)benzenesulphonate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

06-09-2017 - 06-09-2017

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

Specific details on test material used for the study:

- Name of test material : sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
- Molecular formula : C18H14N3O3S.Na
- Molecular weight: 375.383 g/mol
- Smiles notation : c1(Nc2ccccc2)ccc(\N=N\c2cc(ccc2)S(=O)(=O)[O-])cc1.[Na+]
- InChl : 1S/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1/b21-20+;
- Substance type: Organic
- Physical state: Solid
- Date of manufacturing : 1-3-2017
- Date of expiry : 1-2-2021
- Stability : Stable in recommended storage conditions
- Storage Conditions : Ambient Temp (23 to 27 °C)

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

0.137

Temp.:

25 °C

pH:

7.9

Test substance		K	Log k	Log Pow by Generalized Calibration Graph	Mean of Log Pow ± S.D.
tR1	0.833	-0.114	-0.943	0.143	0.137 ± 0.010
tR2	0.834	-0.113	-0.947	0.131

Conclusions:

The partition coefficient(n-octanol/water) of test substance Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS No. 587-98-4)was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 0.137 ± 0.008 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of Sodium 3-(p-nilinophenylazo)benzenesulphonate(CAS No.587-98-4) was determined by the Reverse Phase

High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen

according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Biphenyl, 4-Acetylpyridine,

Diphenylamine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6 The Log Pow value was found to be 0.137

± 0.008 at 25°C.

This value indicates that the substance is hydrophillic in nature which is also supported by its water solubility.

Description of key information

The partition coefficient(n-octanol/water) of test substance Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS No. 587-98-4)was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 0.137 ± 0.008 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

0.137

at the temperature of:

25 °C

Additional information

The partition Coefficient n-octanol/water of Sodium 3-(p-nilinophenylazo)benzenesulphonate(CAS No.587-98-4) was determined by the Reverse Phase

High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen

according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Biphenyl, 4-Acetylpyridine,

Diphenylamine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6 The Log Pow value was found to be 0.137

± 0.008 at 25°C.

Other supporting data based on the available data from authoritative database, indicates the Octanol water partition coefficient value of the substance (Log Pow) as 2.25. Both these values indicate that the substance is hydrophillic in nature which is also supported by its water solubility.