Registration Dossier
Registration Dossier
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EC number: 202-662-8 | CAS number: 98-37-3
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 18-12-2012 to 3-01-2013
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2013
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- 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 substance name:
- 3-amino-4-hydroxybenzenesulphonic acid
- EC Number:
- 202-662-8
- EC Name:
- 3-amino-4-hydroxybenzenesulphonic acid
- Cas Number:
- 98-37-3
- Molecular formula:
- C6H7NO4S
- IUPAC Name:
- 3-amino-4-hydroxybenzenesulphonic acid
- Test material form:
- solid: crystalline
- Details on test material:
- - Name of test material : 3-amino-4-hydroxybenzenesulphonic acid
-Substance type-organic
-physical state-crystalline solid.
Constituent 1
Results and discussion
Partition coefficient
- Type:
- Pow
- Partition coefficient:
- 0.21
- Temp.:
- 21 °C
- pH:
- 3.16
- Remarks on result:
- other: Relatively hydrophilic
- Details on results:
- Converting the above Pow value into its Log value, the Log Pow of 3-amino-4-hydroxybenzenesulphonic acid is -0.67778070526608 at temperature 21degC and pH of 3.16.
Applicant's summary and conclusion
- Conclusions:
- The experimental value of octanol water partition co-efficient (log Pow) of 3-amino-4-hydroxybenzenesulphonic acid is -0.67778070526608 at 21degC and pH of 3.16.
- Executive summary:
The experimental value of octanol water partition co-efficient (log Pow) of 3-amino-4-hydroxybenzenesulphonic acid is -0.67778070526608 at 21degC and pH of 3.16.Hence it is relatively hydrophilic in nature.
The predicted values of partition co-efficient differ form the key study, but for the purpose of the dossier, the experimental value shall be considered
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