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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.
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- 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:
- Reverse Phase High Performance Liquid Chromatography on Octadecyl-modified silica based stationary phase is used.
Partitioning on the column occurs in order of hydrophobicity when a suitable mobile phase is used. From relationship between the measured retention times and the adsorption coefficient on organic matter of reference substances, the sorption coefficient of the test substance is calculated. - GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- 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 - Radiolabelling:
- not specified
- Test temperature:
- 25 deg.C
- Details on study design: HPLC method:
- PREPARATION PROCEDURE
Preparation of Reference substances:
Six reference substances, 2-nitrophenol, nitrobenzene, 4-nitrobenzamide, N, N-dimethylbenzamide, Nmethylbenzamide
and benzamide were chosen having Koc value ranging from 1.239 to 2.47 Individual solutions of these reference substances were prepared in methanol with concentrations of 500 mg/l.
Urea (at concentration of 500 mg/l) was used as an unretained compound for the determination of the “dead time” t0.
K=tR -t0
t0
where
k= capacity factor,
tR= retention time of test substance and reference substance.
t0=retention time of Urea. - Analytical monitoring:
- yes
- Details on sampling:
- A test item solution was prepared by accurately weighing 3 mg of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 300 mg/l. The pH of test substance was 6.71.
- Details on test conditions:
- Chromatographic Conditions:
HPLC Model No. : Agilent Technologies,1260 Infinity
Flow Rate : 1.0ml/min
Column : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm
Mobile phase : Methanol: water (55:45)
Temperature : 25°C
Detector : Diode Array Detector @210nm
Injector : Autosampler
Injector volume : 10μl
Data Acquisition software : ChemStationOpen lab Control Panel - Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 0.704 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: other details not available
- Details on results (HPLC method):
- HPLC PROCEDURE:
The solutions of the test substance and reference substances were prepared in solvent mentioned in 4.3. Each of the reference substance and test substance were analysed by HPLC at 210 nm.
After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. - Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The Adsorption Coefficient of test substance 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 as per the HPLC method. The Log Koc value obtained was 0.7040 dimensionless at 25°C.
- Executive summary:
The adsorption coefficient Koc in soil and in sewage sludge 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 the Reverse Phase High Performance Liquid Chromatographic method. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were 2-nitrophenol, nitrobenzene, 4-nitrobenzamide, N, N-dimethylbenzamide, Nmethylbenzamide and benzamide were chosen having Koc value ranging from 1.239 to 2.4.
The Log Koc value 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 0.7040 dimensionless at 25°C. Based on the value of log Koc it is concluded that this test chemical has negligible sorption to soil and sediments and therefore has rapid migration potential to ground water.
Reference
The Log Kocof 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 to be 0.0740 dimensionless at 25°C.
Reference substance |
Log koc |
Rt1 |
Rt2 |
Rt3 |
Mean R± SD |
K |
Log K |
Urea |
NA |
0.968 |
0.968 |
NA |
0.968±0.0 |
0 |
0 |
2-nitrophenol |
2.47 |
3.108 |
3.108 |
NA |
3.108±0.0 |
2.21 |
0.3444 |
Nitobenzene |
2.35 |
3.117 |
3.121 |
NA |
3.119±0.0028 |
2.222 |
0.3467 |
4-nitrobenzamide |
1.43 |
1.519 |
1.519 |
NA |
1.519±0.0 |
0.569 |
-0.2449 |
N,N dimethylbenzamide |
1.52 |
1.717 |
1.719 |
NA |
1.718±0.014 |
0.774 |
-0.1113 |
N-methylbenzamide |
1.31 |
1.472 |
1.47 |
NA |
1.471±0.0014 |
0.519 |
-0.2848 |
Benzamide |
1.239 |
1.333 |
1.334 |
NA |
1.3335±0.0007 |
0.3775 |
-0.4231 |
Test substance aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)
|
K |
Log k (X axis) |
Log Koc ( Y axis) By Generalized calibration graph |
Mean of Log Koc± S.D |
|
tR1 |
0.766 |
-0.2087 |
-0.6805 |
0.7111 |
0.7040±0.01 |
tR2 |
0.77 |
-0.2045 |
-0.6892 |
0.6970 |
Description of key information
The adsorption coefficient Koc in soil and in sewage sludge 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 the Reverse Phase High Performance Liquid Chromatographic method. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were 2-nitrophenol, nitrobenzene, 4-nitrobenzamide, N, N-dimethylbenzamide, Nmethylbenzamide and benzamide were chosen having Koc value ranging from 1.239 to 2.4.
The Log Koc value 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 0.7040 dimensionless at 25°C. Based on the value of log Koc it is concluded that this test chemical has negligible sorption to soil and sediments and therefore has rapid migration potential to ground water.
Key value for chemical safety assessment
- Koc at 20 °C:
- 5.06
Additional information
Experimental studies for target 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) and for its parent compound as read across chemical are summarized below for adsorption endpoint.
In a key study the adsorption coefficient Koc in soil and in sewage sludge for target 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 the Reverse Phase High Performance Liquid Chromatographic method. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were 2-nitrophenol, nitrobenzene, 4-nitrobenzamide, N, N-dimethylbenzamide, Nmethylbenzamide and benzamide were chosen having Koc value ranging from 1.239 to 2.4.
The Log Koc value 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 0.7040 dimensionless at 25°C. Based on the value of log Koc it is concluded that this test chemical has negligible sorption to soil and sediments and therefore has rapid migration potential to ground water.
Next study was supporting study done from U.P.B. Science Bulletin (Series B, Vol. 78, Iss. 1, 2016 P.137-148 ) in this study the Soil adsorption test was conducted for read across chemical tartrazine by using sorption floatation method. Initial concentration of read across chemical was 5-500 mg/L with pH range of 7-9 at temperature 20 deg C were selected to study tartrazine removal efficiency. The removal efficiency of chemical tartrazine was determined to be 9% using soil as adsorbent in sorption floatation technique.
Last study was also supporting study done from Afinidad 66, no. 544 (2009) for read across chemical in this studytThe capacity of a Romanian soil to retain Acid Yellow 23 from aqueous solution by sorption has been investigated.
The experiments were performed by using a natural soil sampled from the depth of 0-15 cm in the industrial area of the city of Iasi during the summer time (July 2008) that was previously dried and further screened to achieve soil particles size of above 2 mm, equilibration being carried-out with solution of CaCl2. For the equilibrium study, 50 ml Acid Yellow 23 of different concentrations were mixed with a dose of 12 g/L soil, the mixture being subjected to stirring at the room temperature as long it was needed to reach the equilibrium. The Freundlich, Langmuir and linear isotherm models were applied to describe the process and the parameters of these equations were calculated.
The sorption equilibrium revealed that the soil with particles higher than 2 mm may uptake 0.25 mg/g.
The sorption process is best represented by the Langmuir isotherm. The results reveal that the sorption of Acid Yellow 23 onto particles of soils follows a pseudo second order kinetics, suggesting that the chemisorption is the rate controlling mechanism.
The organic carbon normalized sorption coefficient KOC = 151.46 L/Kg. The very low value of KOC shows that the dye tend to remain in solution indicating also its very high mobility, since it is considered that sorption coefficients less than 500 indicate a considerable potential for losses through leaching. The low value of the organic carbon normalized sorption coefficient KOC suggests a high potential of leaching that could result in contamination of the groundwater.
By considering key study mentioned avove it is concluded that 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) negligible sorption to soil and sediments and therefore has rapid migration potential to ground water and other both the studies corroborate this result.
[LogKoc: 0.704]
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