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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
24.01.2013 to 05.02.2013
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report Date:
2013

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: shake-flask method
Principles of method if other than guideline:
Determination of ratio of concentrations of a compound in the two phases of a mixture of Octanol-Water at equilibrium
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: amorphous
Details on test material:
- Name of test material: 3-amino-4-methoxybenzenesulphonic acid
- Molecular formula: C7H9NO4S
- Molecular weight: 203.22
- Substance type: organic
- Physical state: Soild

Results and discussion

Partition coefficient
Type:
Pow
Partition coefficient:
1.193
Temp.:
24 °C
pH:
2.91
Details on results:
Converting the above Pow value into its Log value, the Log Pow of 3-amino-4-methoxybenzenesulphonic acid is 0.0766 at temperature 24 deg C and pH of 2.91.

Applicant's summary and conclusion

Conclusions:
The experimental value of octanol water partition co-efficient (log Pow) 3-amino-4-methoxybenzenesulphonic acid by Shake flask method was found to be 0.0766 at temperature 24 deg C and pH of 2.91.
Executive summary:

The experimental value of octanol water partition co-efficient (log Pow) 3-amino-4-methoxybenzenesulphonic acid by Shake flask method was found to be 0.0766 at temperature 24 deg C and pH of 2.91.This value indicates 3-amino-4-methoxybenzenesulphonic acid is relatively hydrophilic in nature.