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EC number: 262-538-4 | CAS number: 60958-41-0
Endpoint summary
Administrative data
Description of key information
Biodegradation in water:
Biodegradability 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 by using OECD QSAR tool box v3.3 by considering five closest read across chemicals with log Kow as primary descriptor. The percent degradation 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 was estimated to be 0.142 % by considering BOD as parameter and microrganisms as inoculum in 28 days. On The basis of value of percent biodegradabilty it is concluded that this test chemical is not readily biodegradable in 28 days.
Biodegradation in water and sediments:
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 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). If released in to the environment, 10.3 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be180 days (4320 hrs). The half-life (180 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is high whereas the half-life period 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 in sediment is estimated to be 1620.833 days (38900 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.123 %), indicates that test chemical 4-{4-[(E)-2a-{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 is not persistent in sediment.
Biodegradation in soil:
The half-life period 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.69508 -41 -0) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 89.6 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period 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 in soil is estimated to be 360 days (8640hrs). Based on this half-life 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, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is high .
Additional information
Biodegradation in water:
Predicted data studies 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), one experimental study for its structurally similar red across chemical and one more experimental study for target chemical’s closest read across chemical with log kow as primary descriptor are summarized below for biodegradation in water endpoint.
In first weight of evidence study the biodegradability 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 by using OECD QSAR tool box v3.3 by considering five closest read across chemicals with log Kow as primary descriptor. The percent degradation 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 was estimated to be 0.142 % by considering BOD as parameter and microrganisms as inoculum in 28 days. On The basis of value of percent biodegradabilty it is concluded that this test chemical is not readily biodegradable in 28 days.
In another weight of evidence study the prediction was done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound 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) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that 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 is expected to be not readily biodegradable.
Next weight of evidence study was done from Chemosphere, Vo1.15, No.4, pp 479-491, (1986) for structurally similar read across chemical Benzenesulfonic acid, 4-[4-[[2,5-dimethoxy-4-[(2-sulfoxy)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, dipotassium salt (CAS no.20317-19-5) in this study the aerobic biodegradation experiment was performed for read across chemical Benzenesulfonic acid, 4-[4-[[2,5-dimethoxy-4-[(2-sulfoxy)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, dipotassium salt using activated sludge at concentration 0.5 g/L dry material as inoculums and initial concentration of chemical taken was 100mg/L for 28 days. By considering DOC removal parameter read across chemical showed 10% degradation in 28 days. This percentage value is very less So it is concluded that read across chemical Benzenesulfonic acid, 4-[4-[[2,5-dimethoxy-4-[(2-sulfoxy)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, dipotassium salt is not readily biodegradable.
Last weight of evidence study was done from authoritative database (J check, 2017) in this study the read across chemical2-(3-((4-Amino-9,10-dihydro-3-sulpho-9,10-dioxoanthracen-4-yl)amino)benzenesulphonyl)vinyl disodium sulphate (CAS no. 2580-78-1)was subjected to biodegradation test by taking activated sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD, TOC and HPLC parameters. The initial concentration of test chemical was 100 mg/L. The study design used was of standard type. The read across chemical2-(3-((4-Amino-9,10-dihydro-3-sulpho-9,10-dioxoanthracen-4-yl)amino)benzenesulphonyl)vinyl disodium sulphate showed 1 % degradation by BOD parameter, 22% degradation by TOC parameter and 8.0 % degradation by HPLC parameter in 28 days. Based on percent biodegradability it is concluded that read across chemical2-(3-((4-Amino-9,10-dihydro-3-sulpho-9,10-dioxoanthracen-4-yl)amino)benzenesulphonyl)vinyl disodium sulphate is not readily biodegradable.
On the basis of all the studies mentioned above it is concluded that 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) can be considered as non readily biodegradable as both the predicted data have shown that it is not biodegradable and other two studies for read across chemicals support it.
Biodegradation in water and sediments:
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 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). If released in to the environment, 10.3 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be180 days (4320 hrs). The half-life (180 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is high whereas the half-life period 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 in sediment is estimated to be 1620.833 days (38900 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.123 %), indicates that test chemical 4-{4-[(E)-2a-{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 is not persistent in sediment.
Biodegradation in soil:
The half-life period 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.69508 -41 -0) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 89.6 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period 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 in soil is estimated to be 360 days (8640hrs). Based on this half-life 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, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is high .
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