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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
adopted 27. Jul. 1995: “Water Solubility “
Deviations:
no
GLP compliance:
no
Type of method:
flask method
Specific details on test material used for the study:
Name: sodium 3-sulfobenzoate
Batch no.: 170103
Appearance: White crystalline powder
Composition: sodium 3-sulfobenzoate
CAS No.: 17625-03-5
EINECS-No.: 241-602-5
Molecular formula: C7H5SO5Na
Molecular weight: 224.17 g/mol
Purity > 99.0% (Titration with NaOH, Glass indicating electrode,
Calomel reference electrode)
Homogeneity: totally homogeneous
Volatility: not available
Stability: H2O - 96h; EtOH - unknown; acetone - unknown; CH3CN - unknown; DMSO - unknown
Solubility: H2O >1 g/L; EtOH unknown; acetone unknown; CH3CN unknown; DMSO unknown
Expiry date: 14. Feb. 2019
Storage: Room Temperature (20 ± 5°C), keep away from humidity.
Water solubility:
160.93 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
667 g/L
Incubation duration:
24.1 h
Temp.:
20.5 °C
pH:
>= 1 - <= 2
Water solubility:
159.08 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
667 g/L
Incubation duration:
46.3 h
Temp.:
20.5 °C
pH:
>= 1 - <= 2
Water solubility:
159.68 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
667 g/L
Incubation duration:
70.5 h
Temp.:
20.5 °C
pH:
>= 1 - <= 2
Water solubility:
157 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
667 g/L
Incubation duration:
72 h
Temp.:
20.5 °C
pH:
1.96
Water solubility:
156.2 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
667 g/L
Incubation duration:
72 h
Temp.:
20.5 °C
pH:
1.95
Water solubility:
158.5 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
667 g/L
Incubation duration:
72 h
Temp.:
20.5 °C
pH:
1.95
Water solubility:
157.7 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
667 g/L
Incubation duration:
72 h
Temp.:
20.5 °C
pH:
1.96
Water solubility:
161.5 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
667 g/L
Incubation duration:
72 h
Temp.:
20.5 °C
pH:
1.95

The measurements of flasks 2-6 were used for the calculation of the mean.

 Flask  Concentration (g/L)  Total mean (g/L)

 Total Standard Deviation (g/L)

(Relative standard deviation [%])

 2  157.0              158.18

2.05

(1.3)

 3  156.2
 4  158.5
 5  157.7
 6  161 .5

Mean at the plateau is 158.18 ± 2.05 g/L.

Conclusions:
The water solubility of sodium hydrogen m-sulphonatobenzoate is 158.18 ± 2.05 g/L at 20.5 °C and pH 1.95 – 1.96.
Executive summary:

The solubility of sodium 3-sulfobenzoate in water was determined from the measured test substance concentrations in the filtrated test solutions, according to OECD 105 and EU A.6 Method. Equilibration time can be considered as approximately 3 d, as the measured values after 2 d and 3 d did not give significantly different values and no rising tendency was observed. All replicates showed good correspondence. Standard deviation of the five flasks which were used for the calculation of water solubility at the plateau was 2.05 g/L, corresponding to a relative standard deviation of 1.3 %.

The pH value was 1.95 – 1.96 in all five flasks, the test temperature was 20.5 °C at sampling time. No observations arousing doubts concerning the accuracy of the results and the validity of the study were made.

Description of key information

Solubility of sodium 3-sulfobenzoate in water was determined from the measured test substance concentrations in the filtrated test solutions, according to OECD 105 and EU A.6 Method. The water solubility of sodium hydrogen m-sulphonatobenzoate is 158.18 ± 2.05 g/L at 20.5 °C and pH 1.95 – 1.96.

Key value for chemical safety assessment

Water solubility:
100 000 mg/L
at the temperature of:
20.5 °C

Additional information

Value of water solubility used for CSA has been set to 100000 mg/L, the maximum value accepted by EUSES.

Solubility of sodium 3-sulfobenzoate in water has been determined from the measured test substance concentrations in the filtrated test solutions, according to OECD 105 and EU A.6 Method. The water solubility of sodium hydrogen m-sulphonatobenzoate is 158.18 ± 2.05 g/L at 20.5 °C and pH 1.95 – 1.96.

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