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Administrative data

Endpoint:
partition coefficient
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: Calculation
Title:
Unnamed
Year:
2008
Report date:
2010

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Log Kow fragments
Type of method:
other: Calculation
Partition coefficient type:
octanol-water

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

Partition coefficient
Type:
log Pow
Partition coefficient:
-4.34
Remarks on result:
other: Temperature and pH not specified.

Applicant's summary and conclusion

Conclusions:
The octanol-water partition coefficient for the sodium salt of ATBS expressed as log Kow is -4.34.

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