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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
Determination of results by observation
GLP compliance:
no
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
Sodium 3-[[(dimethylamino)thioxomethyl]thio]propanesulphonate
EC Number:
242-644-7
EC Name:
Sodium 3-[[(dimethylamino)thioxomethyl]thio]propanesulphonate
Cas Number:
18880-36-9
Molecular formula:
C6H13NO3S3.Na
IUPAC Name:
sodium 3-[(dimethylcarbamothioyl)sulfanyl]propane-1-sulfonate
Test material form:
solid: particulate/powder
Details on test material:
- Name of test material (as cited in study report) : 1-Propanesulfonic acid, 3-[[(dimethylamino)thioxomethyl]thio]-, sodium salt

Results and discussion

Water solubility
Key result
Water solubility:
399.7 g/L
Incubation duration:
3 h
Temp.:
23 °C
Remarks on result:
other: pH not available
Details on results:
Determination of the water solubility on the basis of observation of the solution (clear solution, slightly turbid solution or turbid solution).

Any other information on results incl. tables

Preliminary test: small portions of DPS were added stepwise in an amount of 5.005 g of water. The mixture was shaken for 10 minutes. The experiment was carried out until the solution showed a strong turbidity. The results are listed in the following table:

Water (g)

DPS (g)

%

Result

5.0052

0.1204

2.35

clear solution

5.0052

0.2919

5.51

clear solution

5.0052

0.4975

9.04

clear solution

5.0052

0.8145

14.00

clear solution

5.0052

1.1564

18.77

clear solution

5.0052

1.5397

23.53

clear solution

5.0052

1.8424

26.91

clear solution

5.0052

1.9478

28.01

clear solution

5.0052

2.1268

29.82

slightly turbid solution

5.0052

2.5419

33.68

turbid solution

Main test: Different quantities of DPS were added in 5 g of water. The mixtures were shortly heated to 26°C and then agitated for 3 hours. The results obtained at 23°C are shown in the following table:

Water (g)

DPS (g)

%

Result

5.0004

1.8488

26.99

clear solution

5.0013

1.9546

28.10

clear solution

5.0008

2.0038

28.61

clear solution

5.0209

2.0229

28.72

slightly turbid solution

5.0292

2.0427

28.88

turbid solution

4.9993

2.0570

29.15

turbid solution

4.9969

2.0822

29.41

turbid solution

5.0226

2.1027

29.51

turbid solution

5.0105

2.1109

29.64

turbid solution

The solubility of DPS in water is 28.61 % or 399.7 g/L at 23°C.

Applicant's summary and conclusion

Conclusions:
Water solubility = 399.7 g/L (moderately soluble)
The study was performed according to OECD TG105 with deviations (no determination of pH, lacking information of individual results of the three flasks, no analytical method) and therefore reliability of Klimisch 2 has been assigned.
Executive summary:

The water solubility of the test material sodium 3-[[(dimethylamino)thioxomethyl]thio]propanesulphonate was determined experimentally using the flask method in a non-GLP test according to OECD guideline 105. The water solubility of the test material is 399.7 g/L at 23 °C, the substance is moderately soluble.