Registration Dossier
Registration Dossier
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EC number: 235-428-9 | CAS number: 12225-21-7 This substance is identified in the Colour Index by Colour Index Constitution Number, C.I. 19140:1.
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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
- 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
- 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.
Reference
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 |
|
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.
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