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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:
data is from experimental reports
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
The water solubility determination of test item 3-methylsulphanilic acid (CAS No. 98-33-9) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101
GLP compliance:
not specified
Type of method:
flask method
Specific details on test material used for the study:
- Name of test material: 3-methylsulphanilic acid
- Molecular formula: C7H9NO3S
- Molecular weight: 187.218 g/mol
- Smiles notation: S(c1cc(c(N)cc1)C)(O)(=O)=O
- InChl: 1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
- Substance type: Organic
- Physical state: Solid
Key result
Water solubility:
6 121.46 mg/L
Conc. based on:
test mat.
Temp.:
30 °C
Remarks on result:
other: no additional details mentioned

Sample stirring time (hours)

Concentration obtained on the basis of standard curve (mg/l)

Dilution factor

Solubility value obtained (mg/l)

24

-

-

-

48

13.9367

400

5574.68

72

16.6706

400

6668.24

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

=(5574.68+6668.24)/2

=6121.46 mg/L

Conclusions:
The water solubility determination of test item 3-methylsulphanilic acid (CAS No.98-33-9) was done by spectrophotometric method. The water solubility was determined to be 6121.46 mg/L at 30°C.
Executive summary:

The water solubility determination of test item 3-methylsulphanilic acid (CAS No. 98-33-9) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 3-methylsulphanilic acid (CAS: 98-33-9) in water was determined to be 6121.46 mg/L at 30°C.

Description of key information

The water solubility determination of test item 3-methylsulphanilic acid (CAS No. 98-33-9) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 3-methylsulphanilic acid (CAS: 98-33-9) in water was determined to be 6121.46 mg/L at 30°C.

Key value for chemical safety assessment

Water solubility:
6 121.46 mg/L
at the temperature of:
30 °C

Additional information

The water solubility determination of test item 3-methylsulphanilic acid (CAS No. 98-33-9) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 3-methylsulphanilic acid (CAS: 98-33-9) in water was determined to be 6121.46 mg/L at 30°C.

WSKOW v1.42 was used to estimate the water solubility of 4-amino-3-methylbenzenesulfonic acid.

Water solubility of 3-methylsulphanilic acid was estimated to be 10380 mg/l at 25 deg C.

The experimental and estimated values suggest that 4-amino-3-methylbenzenesulfonic acid is highly soluble in water.