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EC number: 262-538-4 | CAS number: 60958-41-0
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption:
The Soil Adsorption Coefficient i.e Koc value of test substance 4-{4-[(E)-2-{2-methoxy-5-methyl-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid (CAS no. 60958 -41.0) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.00 dimensionless (log Koc= 0). This log Koc value indicates that the test substance 4-{4-[(E)-2-{2-methoxy-5-methyl-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid has a negligible sorption to soil and therefore have rapid migration potential to groundwater.
Additional information
Adsorption/desorption:
Results of different predicted data from different sources for target chemical 4-{4-[(E)-2-{2-methoxy-5-methyl-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid (CAS no. 60958 -41-0) and one experimental study for its structurally similar read across chemical are summarized below for adsorption endpoint.
In first weight of evidence study for target chemical 4-{4-[(E)-2-{2-methoxy-5-methyl-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid (CAS no. 60958 -41-0) the Soil Adsorption Coefficient i.e Koc value of test substance was estimated using Adsorption Coefficient module (v12.1.0.50374) program of Advanced Chemistry Developmen(ACD)/I-lab predictive module (2017) the Koc value was estimated to be 1.00 dimensionless (log Koc= 0).
In another weight of evidence study Koc value was determined by using Sci Finder database of American Chemical Society (ACS, 2017) the Koc value of test chemical 4-{4-[(E)-2-{2-methoxy-5-methyl-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid (CAS no. 60958-41-0) was estimated to be 1.00 ( log Koc =0) at pH 1-10 at temperature 25 deg.C.
Next predicted data study was done by using Chemspider-ACD/Phy chem suite of Royal Society of Chemistry (RCS, 2017) in this study the soil adsorption co-efficient i.e., Koc value of test substance 4-{4-[(E)-2-{2-methoxy-5-methyl-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid (CAS no. 60958 -41 -0) was estimated to be 1.0 dimensionless (log Koc= 0) at pH 5.5 and 7.4 and temperature 25 deg.C
Last study was experimental study done from (UERL, 2017) for read across chemical in this study 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 read across 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 read across chemical has negligible sorption to soil and sediments and therefore has rapid migration potential to ground water.
On the basis of all the studies mentioned above Koc value at different pH indicates that the chemical 4-{4-[(E)-2-{2-methoxy-5-methyl-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid has negligible sorption to soil and sediments and therefore rapid migration potential to ground water and experimental study of read across chemical also supports this conclusion.
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