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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Recognised method of calculation.

Data source

Reference
Reference Type:
other: EPIWIN Suite software
Title:
Unnamed
Year:
2008
Report date:
2014

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Calculation based on melting point (calculated to be 268°C for the pure organic compound) and log Kow (calculated to be -4.35 for the pure organic compound).
GLP compliance:
no
Type of method:
other: Calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
Sodium 2-methyl-2-[(1-oxoallyl)amino]propanesulphonate
EC Number:
225-948-4
EC Name:
Sodium 2-methyl-2-[(1-oxoallyl)amino]propanesulphonate
Cas Number:
5165-97-9
Molecular formula:
C7H13NO4S.Na
IUPAC Name:
sodium 2-(acryloylamino)-2-methylpropane-1-sulfonate

Results and discussion

Water solubility
Water solubility:
1 000 g/L
Temp.:
25 °C
pH:
>= 1 - < 6
Remarks on result:
other: Substance is produced, supplied and used at pH < 6.

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The water solubility for the sodium salt of ATBS as a pure organic compound is estimated to be 1000 g/L using WSKOW, version 1.41a.