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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:
4 (not assignable)
Rationale for reliability incl. deficiencies:
secondary literature
Justification for type of information:
Data is from secondary source
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
Determination of octanol water partition coefficient of the test substance calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate. The study was performed according to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method).
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material: calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate- Common name: C. I. Pigment 57:1- Molecular formula: C18H12CaN2O6S- Molecular weight: 424.445 g/mol- Smiles notation: c12c(c(c(C(=O)[O-])cc1cccc2)O)\N=N\c1c(cc(C)cc1)S(=O)(=O)[O-].[Ca+2]- InChI: 1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-19+;- Substance type: Organic - Physical state: Solid
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.5
Temp.:
25 °C
pH:
3
Key result
Type:
log Pow
Partition coefficient:
2.4
Temp.:
25 °C
pH:
4
Details on results:
The logKow of test chemical calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate was determined to be ranges from 2.4 to 2.5 at pH 3 & 4 and at a temperature of 25°C.
Conclusions:
The partition coefficient (log Pow) value of the substance calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate was determined to be ranges from 2.4 to 2.5 at pH 3 & 4 and at a temperature of 25°C.
Executive summary:

The partition coefficient (log Pow) value of the substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate was determined according to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) at a temperature of 25°C and pH 3 & 4, respectively. The logKow value of test chemical was determined to be ranges from 2.4 to 2.5, respectively at pH 3 & 4 and at a temperature of 25°C.

Description of key information

Based on the available data from secondary source, the partition coefficient (log Pow) value of the substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate was determined according to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) at a temperature of 25°C and pH 3 & 4, respectively. The logKow value of test chemical was determined to be ranges from 2.4 to 2.5, respectively at pH 3 & 4 and at a temperature of 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.4
at the temperature of:
25 °C

Additional information

Based on the available data in a key study from secondary source, the partition coefficient (log Pow) value of the substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate was determined according to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) at a temperature of 25°C and pH 3 & 4, respectively. The logKow value of test chemical was determined to be ranges from 2.4 to 2.5, respectively at pH 3 & 4 and at a temperature of 25°C.

Additional studyfrommodeling databaseindicates that the octanol waterpartition coefficient (log Pow) value of the substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate was estimated to be 3.44.

Thus, based on the available information, the logPow valueof the test substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate ranges from 2.4 to 3.44, respectively.