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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from computaional model developed by USEPA
Reference:
Composition 0
Composition 0
Qualifier:
according to
Guideline:
other: refer principle below
Principles of method if other than guideline:
To determine octanol water partition coefficent log Kow of test chemical 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid
GLP compliance:
not specified
Type of method:
other: estimated
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material: 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid / Acid Yellow 49
- IUPAC name: 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid
- Molecular formula: C16H13Cl2N5O3S
- Molecular weight: 426.283 g/mole
- Smiles :n1(c2ccccc2)c(c(\N=N\c2c(cc(S(O)(=O)=O)c(c2)Cl)Cl)c(n1)C)N
- Inchl: 1S/C16H13Cl2N5O3S/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26/h2-8H,19H2,1H3,(H,24,25,26)/b21-20+
- Substance type: Organic
- Physical state: Solid powder (yellow)
Key result
Type:
log Pow
Partition coefficient:
1.702
Temp.:
25 °C
Remarks on result:
other: other details not available
Conclusions:
The estimated log POW of the target chemical 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid (CAS no.12239-15-5) was estimted to be 1.70.
Executive summary:

Octanol water partition coefficient of target chemical 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid (CAS no. 12239 -15 -5) was estimated. The estimated log POW of the chemical 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid was 1.70 . On the basis of estimated value, the this test chemical can be considered as hydrophillic in nature.

Description of key information

Octanol water partition coefficient of target chemical 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid (CAS no. 12239 -15 -5) was estimated. The estimated log POW of the chemical 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid was 1.70 . On the basis of estimated value, the this test chemical can be considered as hydrophillic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.702
at the temperature of:
25 °C

Additional information

Octanol water partition coefficient of target chemical 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid (CAS no. 12239 -15 -5) was estimated. The estimated log POW of the chemical 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid was 1.70 . On the basis of estimated value, the this test chemical can be considered as hydrophillic in nature.