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EC number: 229-291-4 | CAS number: 6470-17-3
Endpoint summary
Administrative data
Description of key information
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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS No. 6470 -17 -3). The bioconcentration factor (BCF) of 5-amino-2-methoxybenzene-1-sulfonic 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 5-amino-2-methoxybenzene-1-sulfonic acid is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Various predicted data for the target compound 5-amino-2-methoxybenzene-1-sulfonic acid (CAS No. 6470-17-3) and supporting weight of evidence study for its 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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS No. 6470 -17 -3). The bioconcentration factor (BCF) of 5-amino-2-methoxybenzene-1-sulfonic 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 5-amino-2-methoxybenzene-1-sulfonic acid is not expected to bioaccumulate in the food chain.
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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no. 6470 -17 -3) was estimated to be 1. This value indicates that the test substance 5-amino-2-methoxybenzene-1-sulfonic acid was considered to be non-accumulative in aquatic organisms.
Bioconcentration Factor (BCF) of test chemical 5-amino-2-methoxybenzene-1-sulfonic acid was estimated using Chemspider database (ChemSpider, 2017). The bioconcentration factor of test substance 5-amino-2-methoxybenzene-1-sulfonic acid was estimated to be 1 at both pH 5.5 and 7.4, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 5-amino-2-methoxybenzene-1-sulfonic acid is not expected to bioaccumulate in the food chain.
Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS No. 6470 -17 -3). The bioconcentration factor (BCF) of 5-amino-2-methoxybenzene-1-sulfonic acid was estimated to be 1 (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 5-amino-2-methoxybenzene-1-sulfonic acid is not expected to bioaccumulate in the food chain.
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 5-amino-2-methoxybenzene-1-sulfonic acid was estimated to be 4.61 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 5-amino-2-methoxybenzene-1-sulfonic acid is non-bioaccumulative in nature.
In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical 2-amino-5-methylbenzenesulfonic acid (CAS no. 88-44-8),bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of 2-amino-5-methylbenzenesulfonic acid. 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 2mg/l and 0.2mg/l, respectively. Range finding study involve the TLm (48 hr) 480 mg/l (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance 2-amino-5-methylbenzenesulfonic acid on Cyprinus carpio was determined to be ≤ 0.4 L/Kg at a conc. of 2mg/l and ≤ 4.0 L/Kg at a conc. of 0.2mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2 -amino-5 -methylbenzenesulfonic acid is not expected to bioaccumulate in the food chain.
For the read across chemical 2-aminonaphthalene-1-sulfonic acid (CAS no. 81-16-3),bioaccumulation study was conducted on test organism Cyprinus carpiofor 8 weeks for evaluating the bioconcentration factor (BCF value) of substance 2 -aminonaphthalene-1 -sulfonic acid (J-CHECK, 2017) under static conditions. Test chemical nominal conc. used for the study were 5 mg/l and 0.5 mg/l (w/v), respectively. Range finding study involve the TLm (48 hr) 610 mg/l on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance 2 -aminonaphthalene-1 -sulfonic acid on Cyprinus carpio was determined to be< 0.6 L/Kg at a conc. of 5 mg/l and < 6 L/Kg at a conc. of 0.5 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2 -aminonaphthalene-1 -sulfonic acid is not expected to bioaccumulate in the food chain.
On the basis of above results for target chemical 5-amino-2-methoxybenzene-1-sulfonic acid (from EPI suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard, 2017) and for its read across substance (from authoritative database J-CHECK), it can be concluded that the BCF value of test substance 5-amino-2-methoxybenzene-1-sulfonic acidranges from 1.0 – 4.61 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 5-amino-2-methoxybenzene-1-sulfonic acid is not expected to bioaccumulate in the food chain.
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