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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:
other: Data is from predicted database
Justification for type of information:
Data is from predicted database
Qualifier:
according to guideline
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Estimation of octanol water partition coefficient of the test substance 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol.
GLP compliance:
not specified
Type of method:
other: No data available
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material (IUPAC Name): 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol
- Molecular formula: C24H20N4O
- Molecular weight: 380.449 g/mol
- Smiles notation: c12c(\N=N\c3c(cc(\N=N\c4c(cccc4)C)cc3)C)c(ccc1cccc2)O
- InChI: 1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,29H,1-2H3/b26-25+,28-27+
- Substance type: Organic
Key result
Type:
log Pow
Partition coefficient:
6.66
Remarks on result:
other: log Kow = 6.66 ± 0.43
Details on results:
The logKow of test chemical 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol was estimated to be 6.66 ± 0.43.
Conclusions:
The partition coefficient (log Pow) value of the test chemical 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol was estimated to be 6.66 ± 0.43.
Executive summary:

The partition coefficient (log Pow) value of the substance 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol was estimated to be 6.66 ± 0.43. Based on this value, test chemical 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol can be considered to be hydrophobic in nature.

Description of key information

Based on the available data from modelling database,the partition coefficient (log Pow) value of the substance 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol was estimated to be 6.66 ± 0.43. On the basis of this value, test chemical 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol can be considered to be hydrophobic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.66

Additional information

Based on the available data in a key study from modelling database, the partition coefficient (log Pow) value of the substance 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol was estimated to be 6.66 ± 0.43.

Additional studyfrommodelling databaseindicates that the octanol waterpartition coefficient (log Pow) value of the test chemical 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol was estimated to be 6.873 ± 1.421 at 25°C.

Thus, based on the available information, the logPow valueof the test chemical 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol ranges from 6.66 to 6.873, respectively. On the basis of this value, chemical 1-(2-Methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol can be considered to be hydrophobic in nature.