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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Bioaccumulation:Aquatic/sediments:

Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for 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) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that 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 is non bioaccumulative in food chain.

Additional information

Bioaccumulation:Aquatic/sediments:

Various 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) have been studied for target chemical and their results are summarized below for bioaccumulation endpoint.

 

In a prediction done by using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for 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) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000.

 

Another prediction was done by using Bio-concentration Factor (v12.1.0.50374) module of Advanced Chemistry Development (ACD)/I lab predictive module(2017) in this study the Bio-concentration Factor at range pH 1-14  of 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 (CAS no.60958 -41 -0) estimated to be 1.00 dimensionless.

 

Next prediction was done by using SciFinder database of American chemical society (ACS, 2017) in this study the Bioconcentration factor (BCF) 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 at pH 1-10 and temperature 25 °C was estimated to be 1.00 dimensionless.

 

In another prediction the Bioconcentration factor (BCF) for 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 predicted in aquatic organisms by Chemspider- ACD/PhysChem Suite at pH 5.5 and pH 7.4.The Bioconcentration factor (BCF) of test substance at pH 5.5 and pH 7.4 was estimated to be 1.00 dimensionless. 

 

Last weight of evidence study was done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical)  the bioaccumulation i.e BCF for 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.578 -58 -5) was estimated to be 2.35 dimensionless . The predicted BCF result was based on the 5 OECD principles.

 

On the basis of all the studies mentioned above BCF 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 was determined in range of 1-3.162 L/kg. By considering range value of BCF it is concluded that 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 is non-bioaccumulative in nature, because the bioconcentration factor in fish is less than 2000.