Registration Dossier
Registration Dossier
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EC number: 204-282-8 | CAS number: 118-88-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 18.12.2012 to 03.01.2013
- 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:
- 4-aminotoluene-2-sulphonic acid
- EC Number:
- 204-282-8
- EC Name:
- 4-aminotoluene-2-sulphonic acid
- Cas Number:
- 118-88-7
- Molecular formula:
- C7H9NO3S
- IUPAC Name:
- 5-amino-2-methylbenzene-1-sulfonic acid
- Test material form:
- other: solid
- Details on test material:
- Name of the test material: 4-aminotoluene-2-sulphonic acid
Molecular formula: C7H9NO3S
Molecular weight: 187.21
Physical state: Solid
Substance Type: Organic
Constituent 1
Results and discussion
Partition coefficient
- Type:
- Pow
- Partition coefficient:
- 0.65
- Temp.:
- 23 °C
- pH:
- 3.26
- Details on results:
- Converting the above Pow value into its Log value, the Log Pow of 4-aminotoluene-2-sulphonic acid is -0.1870 at temperature 23 degC and pH of 3.26
Applicant's summary and conclusion
- Conclusions:
- The experimental value of octanol- water partition co-efficient (log Pow) of 4-aminotoluene-2-sulphonic acid by Shake flask method was found to be -0.1870 at temperature 23 deg C and pH of 3.26.
- Executive summary:
The experimental value of octanol- water partition co-efficient (log Pow) of 4-aminotoluene-2-sulphonic acid by Shake flask method was found to be -0.1870 at temperature 23 deg C and pH of 3.26.
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