Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex

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 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 chemical aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No. 15790-07-5) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals.

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 (IUPAC name): aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex
- Molecular formula: C16H9AlN2O7S2
- Molecular weight: 432.368 g/mol
- Smiles notation: c12c(cc(S(=O)(=O)[O-])cc2)ccc(c1\N=N\c1ccc(S(=O)(=O)[O-])cc1)[O-].[Al+3]
- InChl: 1S/C16H12N2O7S2.Al/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;/h1-9,19H,(H,20,21,22)(H,23,24,25);/q;+3/p-3/b18-17+;
- Substance type: Organic
- Physical state: Solid
- Batch No./ Lot no.: FG/16-17/1544
- Physical Appearance: orange powder
- Purity: 45.15%
- Stability: Stable in recommended storage conditions
- Storage Conditions: Ambient Temp (23 to 27 °C) √ (Store in a cool place. Keep containers tightly closed in a dry and well ventilated place)

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

3.706

Temp.:

25 °C

pH:

5.44

Remarks on result:

other: Log Pow value reported as 3.706±0.001

Details on results:

The Partition coefficient (Pow) of the Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No. 15790-07-5) was found to be 3.706±0.001 at 25°C.

Table 1: Results of test substance

Test substance		K	Log k	Log Pow by Generalized Calibration Graph	Mean of Log Pow± S.D.
tR1	3.477	2.8689	0.4577	3.7067	3.706±0.001
tR2	3.474	2.8656	0.4572	3.7053

Conclusions:

The partition coefficient(n-octanol/water) of test substance Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No.15790-07-5) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.706±0.001 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of chemical aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No. 15790-07-5) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 3 mg of test item and diluted with methanol: water (2:3) up to 25 ml. Thus, the test solution concentration was 120 mg/l. The pH of test substance was 5.44. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared was prepared. The reference substances were acetophenone, benzophenone, phenol, benzene, 2-nitrophenol, nitrobenzene, and naphthalene having Pow value ranging from 1.5 to 3.6. The Log Pow value was determined to be 3.706±0.001 at 25°C. On the basis of this value, the test substance aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex can be considered to be hydrophilic in nature.

Description of key information

The partition Coefficient n-octanol/water of chemical aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No. 15790-07-5) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals (Sustainability Support Service (Europe) AB, Report no. UERL/PC/013-03, 2017). A test item solution was prepared by accurately weighing 3 mg of test item and diluted with methanol: water (2:3) up to 25 ml. Thus, the test solution concentration was 120 mg/l. The pH of test substance was 5.44. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared was prepared. The reference substances were acetophenone, benzophenone, phenol, benzene, 2-nitrophenol, nitrobenzene, and naphthalene having Pow value ranging from 1.5 to 3.6. The Log Pow value was determined to be 3.706±0.001 at 25°C. On the basis of this value, the test substance aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex can be considered to be hydrophilic in nature.

 

Key value for chemical safety assessment

Log Kow (Log Pow):

3.706

at the temperature of:

25 °C

Additional information

The partition Coefficient n-octanol/water of chemical aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No. 15790-07-5) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals (Sustainability Support Service (Europe) AB, Report no. UERL/PC/013-03, 2017). A test item solution was prepared by accurately weighing 3 mg of test item and diluted with methanol: water (2:3) up to 25 ml. Thus, the test solution concentration was 120 mg/l. The pH of test substance was 5.44. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared was prepared. The reference substances were acetophenone, benzophenone, phenol, benzene, 2-nitrophenol, nitrobenzene, and naphthalene having Pow value ranging from 1.5 to 3.6. The Log Pow value was determined to be 3.706±0.001 at 25°C. On the basis of this value, the test substance aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex can be considered to be hydrophilic in nature.