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Environmental fate & pathways

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Bioaccumulation: aquatic / sediment

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy) ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid (CAS No. 10149 -98 -1). The bioconcentration factor (BCF) of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl] sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3-carboxylic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole- 3-carboxylic acid is not expected to bioaccumulate in the food chain.

Additional information

Bioaccumulation: aquatic / sediment

Various predicted data for the target compound 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (CAS No. 10149-98-1) and supporting weight of evidence study for its structurally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid (CAS No. 10149 -98 -1). The bioconcentration factor (BCF) of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3-carboxylic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).

 

In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBio-concentration Factor (BCF) over the entire pH scale (pH 1 -14) of the test substance 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl] sulphonyl]phenyl]azo]-1 -(4 -sulpho phenyl)-1H-pyrazole-3 -carboxylic acid (CAS no. 10149 -98 -1) was estimated to be 1.

 

Bioconcentration Factor (BCF) of test chemical 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid was estimated to be 1 at both pH 5.5 and 7.4, respectively.

 

Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl] sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid (CAS No. 10149 -98 -1). The bioconcentration factor (BCF) of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl] sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was estimated to be 1 (at 25 deg C).

 

In a supporting weight of evidence study from authoritative database (J-CHECK and HSDB, 2017 & EnviChem, 2014) for the read across chemical C. I. Acid Yellow 23 (Trisodium 5-hydroxy-1-(4-sulphophenyl)-4-(4-sulphophenylazo)pyrazole-3-carboxylate) (CAS no. 1934-21-0),bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of C. I. Acid Yellow 23.The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 0.6mg/land 0.06 mg/l, respectively. Range finding study involve the TLm (48 hr) ≥ 1000 mg/l on Rice fish (Oryzias latipes). Lipid content of the test organism was determined to be 2.8%. The bioconcentration factor (BCF value) of substance C. I. Acid Yellow 23 on Cyprinus carpio was determined to be ≤ 0.29 L/Kg at a conc. of 0.6 mg/l and ≤ 3.0 L/Kg at a conc. of 0.06 mg/l, respectively.

 

On the basis of above results for target chemical 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (from EPI suite, ACD labs,ChemSpider and Scifinder,  2017) and for its read across substance from authoritative database (HSDB, EnviChem & J-CHECK), it can be concluded that the BCF value of test substance 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid ranges from 1 – 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is not expected to bioaccumulate in the food chain.