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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
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 guidelines
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
The water solubility of Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1Hpyrazole-3-carboxylic acid complex (CAS No. 12225-21-7) was determined as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.
GLP compliance:
not specified
Type of method:
other: by spectrophotometric analytical method
Specific details on test material used for the study:
- Name of test material: Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex- IUPAC name: aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)- Molecular formula: C48H33AlN12O27S6- Molecular weight: 1429.19 g/mole- Smiles : C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)[O-].C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)[O-].C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)[O-].[Al+3]- Inchl: 1S/3C16H12N4O9S2.Al/c3*21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h3*1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);/q;;;+3/p-3- Substance type: Organic- Physical state: Solid Red powder
Key result
Water solubility:
561.286 mg/L
Conc. based on:
test mat.
Temp.:
30 °C
Remarks on result:
other: no other details mentioned

WATER SOLUBILITY: PRELIMINARY TEST

0.1g of test item was taken in 100 ml beaker. RO water was added in increasing amount in sequence of 0.1 ml, 0.5 ml, 1.0

ml, 2.0 ml, 10.0 ml and 100.0 ml with intermediate stirring.

For poorly soluble substances: Preliminary water solubility of test item was found 0.1g in > 100 ml RO water. For analytical

determination 0.1 g of test item was dissolved in 100 ml of RO water. The solution was kept for 24 hrs on stirring and absorbance was recorded. Concentration detected on the basis of standard curve was 749.466 mg/L. Five times the concentration recorded from preliminary solubility was used for confirmatory study.

WATER SOLUBILITY: CONFIRMATORY TEST

Five times the concentration recorded from preliminary solubility = 749.466 mg/L × 5 = 3734.33 mg/L was used for confirmatory study. Two separate solution of 374.733 mg in 100 ml RO water were prepared and kept for stirring for 48 hrs and 72 hrs. After the completion of stirring period the absorbance for all the two solution were recorded and concentration was detected on the basis of standard curve. Table 2 refers to the same.

Sample stirring

Concentration obtained on

the basis of standard curve

Dilution factor

 

Solubility value obtained

(mg/L)

24 hour

-

-

-

48 hour

28.1575

mg/L 20

563.15 mg/L

72 hour

27.9711

mg/L 20

559.422 mg/L

Considering the water solubility for 48 hrs and 72 hrs the mean water solubility was calculated as follows:

Mean water solubility value for 48 hour run sample + 72 hour run sample

= (563.15 + 559.422)/2

= 561.286 mg/L

Conclusions:
The water solubility for the test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex was determined to be 561.286 mg/L at 30°C.
Executive summary:

The water solubility determination of test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1Hpyrazole- 3-carboxylic acid complex; CAS No.12225-21-7 was done by spectrophotometric method. The water solubility wasdetermined to be 561.286 mg/L at 30°C.

Hence the test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1Hpyrazole- 3-carboxylic acid complex was considered to be moderately soluble in water.

Description of key information

The water solubility for the test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex was determined to be 561.286 mg/L at 30°C.

Key value for chemical safety assessment

Water solubility:
561.286 mg/L
at the temperature of:
30 °C

Additional information

The water solubility determination of test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1Hpyrazole- 3-carboxylic acid complex; CAS No.12225-21-7 was done by spectrophotometric method. The water solubility wasdetermined to be 561.286 mg/L at 30°C.

Hence the test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1Hpyrazole- 3-carboxylic acid complex was considered to be moderately soluble in water.