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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:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard OECD test guidelines
Qualifier:
according to
Guideline:
other: Adapted from IS: 2720 (Part 4)
Principles of method if other than guideline:
To determine partition coefficient of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) by HPLC method.
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material (IUPAC name): aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)- Common name: FD&C Yellow No. 5 Aluminum Lake- Molecular formula: C48H33AlN12O27S6- Molecular weight: 495.4038 g/mol-InChl:1S/C16H12N4O9S2.Al/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);/b18-17+;- Substance type: Organic- Physical state: solid
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
0.028
Temp.:
25 °C
Remarks on result:
other: other details not available

Test Substance

K

Log K

Log Pow by generalized calibration graph

Mean of Log Pow ± S.D

tR1

0.758

-0.1565

-0.8054

0.0945

0.0278±0.0944

tR2

0.772

-0.1409

-0.8509

-0.0389

Conclusions:
The octanol water partition coefficent of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)t was determined to be 0.0278 by HPLC method.
Executive summary:

The octanol water partition coefficent of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS no. 12225 -21 -7) was determined by using reverse phase HPLC method in this method reference substances used were namely butanone, acetophenone, benzophenone, phenol, benzene, 2,6-Diphenylpyridine, 4-acetylpyridine, 2-nitrophenol, nitrobenzene and naphthalene having log Pow between range 0.3 -4.9 and calibration graph was prepared. And by using this graph the octanol water partition coefficent of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) was determined to be 0.0278. By this value it is concluded that this test chemical is hydrophilic in nature.

Description of key information

The octanol water partition coefficent of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS no. 12225 -21 -7) was determined by using reverse phase HPLC method in this method reference substances used were namely butanone, acetophenone, benzophenone, phenol, benzene, 2,6-Diphenylpyridine, 4-acetylpyridine, 2-nitrophenol, nitrobenzene and naphthalene having log Pow between range 0.3 -4.9 and calibration graph was prepared. And by using this graph the octanol water partition coefficent of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) was determined to be 0.0278. By this value it is concluded that this test chemical is hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.028
at the temperature of:
25 °C

Additional information

The octanol water partition coefficent of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS no. 12225 -21 -7) was determined by using reverse phase HPLC method in this method reference substances used were namely butanone, acetophenone, benzophenone, phenol, benzene, 2,6-Diphenylpyridine, 4-acetylpyridine, 2-nitrophenol, nitrobenzene and naphthalene having log Pow between range 0.3 -4.9 and calibration graph was prepared. And by using this graph the octanol water partition coefficent of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) was determined to be 0.0278. By this value it is concluded that this test chemical is hydrophilic in nature.