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Reference
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:
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 PROCEDUREPreparation of Reference substances:Six reference substances, 2-nitrophenol, nitrobenzene, 4-nitrobenzamide, N, N-dimethylbenzamide, Nmethylbenzamideand 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 -t0t0wherek= 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 InfinityFlow Rate : 1.0ml/minColumn : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μmMobile phase : Methanol: water (55:45)Temperature : 25°CDetector : Diode Array Detector @210nmInjector : AutosamplerInjector volume : 10μlData 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

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

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.

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]