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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data is from modelling databases.
Qualifier:
according to
Guideline:
other: refer principle below
Principles of method if other than guideline:
To estimate octanol water partition coefficient of the 2-aminotoluene-4-sulphonic acid (CAS no. 618-03-1).
GLP compliance:
not specified
Type of method:
other: experimental
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material (IUPAC name): 2-aminotoluene-4-sulphonic acid
- Molecular formula: C7H9NO3S
- Molecular weight: 187.218 g/mol
- Smiles notation: O=S(=O)(O)c1ccc(c(N)c1)C
- InChl: 1S/C7H9NO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- Substance type: Organic
- Physical state: Solid powder (white to pinkish white)
Key result
Type:
log Pow
Partition coefficient:
-1.53
Temp.:
25 °C
Remarks on result:
other: other details not available
Conclusions:
The octanol water partition coefficent of target chemical 2-aminotoluene-4-sulphonic acid was determined to be -1.53.
Executive summary:

The octanol water partition coefficent of target chemical 2-aminotoluene-4-sulphonic acid( CAS no. 618 -03 -1) was determined to be -1.53. On the basis of log Pow value the test chemical 2-aminotoluene-4-sulphonic acid was considered to be hydrophilic in nature which is also supported by the high water solubility of the this chemical.

Description of key information

The octanol water partition coefficent of target chemical 2-aminotoluene-4-sulphonic acid( CAS no. 618 -03 -1) was determined to be -1.53. On the basis of log Pow value the test chemical 2-aminotoluene-4-sulphonic acid was considered to be hydrophilic in nature which is also supported by the high water solubility of the this chemical.

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.53
at the temperature of:
25 °C

Additional information

The octanol water partition coefficent of target chemical 2-aminotoluene-4-sulphonic acid( CAS no. 618 -03 -1) was determined to be -1.53. On the basis of log Pow value the test chemical 2-aminotoluene-4-sulphonic acid was considered to be hydrophilic in nature which is also supported by the high water solubility of the this chemical.