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EC number: 229-029-9 | CAS number: 6406-56-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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 modelling database.
- Qualifier:
- according to guideline
- Guideline:
- other: refer principle below
- Principles of method if other than guideline:
- To estimate octanol water partition coefficent of test chemical sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate (CAS no. 6406-56-0)
- GLP compliance:
- not specified
- Type of method:
- other: estimated
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate
- Common name: Acid Red 151
- Molecular formula: C22H15N4O4S.Na
- Molecular weight: 455.448 g/mol
-Physical state: red to brown powder
- Smiles notation: c12c(\N=N\c3ccc(\N=N\c4ccc(S(O)(=O)=O)cc4)cc3)c(ccc1cccc2)O.[Na+]
- InChl: 1S/C22H16N4O4S.Na/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30;/h1-14,27H,(H,28,29,30);/q;+1/b24-23+,26-25+;
- Substance type: Organic - Key result
- Type:
- log Pow
- Partition coefficient:
- 2.68
- Temp.:
- 25 °C
- Remarks on result:
- other: other details not available
- Conclusions:
- The octanol water partition coefficent (log Pow) of chemical sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate was estimated to be 2.68 at temperature 25 oC.
- Executive summary:
The octanol water partition coefficent (log Pow) of chemical sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate (CAS no. 6406 -56 -0) was estimated to be 2.68 at temparature 25oC by using Estimation Program Interface (EPI suite) KOWWIN program V1.68. By this log Pow value chemical sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate is considered as hydrophilic in nature.
Reference
Description of key information
The octanol water partition coefficent (log Pow) of chemicalsodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate(CAS no. 6406 -56 -0) was estimated to be 2.68 at temparature 25oC by using Estimation Program Interface (EPI suite) KOWWIN program V1.68. By this log Pow value chemicalsodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonateis considered as hydrophilic in nature.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.68
- at the temperature of:
- 25 °C
Additional information
The octanol water partition coefficent (log Pow) of chemicalsodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate(CAS no. 6406 -56 -0) was estimated to be 2.68 at temparature 25oC by using Estimation Program Interface (EPI suite) KOWWIN program V1.68. By this log Pow value chemicalsodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonateis considered as hydrophilic in nature.
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