Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Water solubility

Currently viewing:

Administrative data

Link to relevant study record(s)

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
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.