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EC number: 204-246-1 | CAS number: 118-33-2
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 6 -aminonaphthalene-1,3 -disulfonic acid (CAS No. 118 -33 -2). The bioconcentration factor (BCF) of 6 -aminonaphthalene-1,3 -disulfonic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 6-aminonaphthalene-1,3-disulfonic acid is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic/sediment
Various predicted data for the target compound 6-aminonaphthalene-1,3-disulfonic acid (CAS No. 118-33-2) and supporting weight of evidence study for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done using the BCFBAF Model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 6 -aminonaphthalene-1,3 -disulfonic acid (CAS No. 118 -33 -2). The bioconcentration factor (BCF) of 6 -aminonaphthalene-1,3 -disulfonic 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),theBCF over the entire pH scale (pH 0 -14) of the test substance 6-aminonaphthalene-1,3-disulfonic acid (CAS no. 118 -33 -2) was estimated to be 1.
Bioconcentration Factor (BCF) of test chemical 6-aminonaphthalene-1,3-disulfonic acid (CAS no. 118 -33 -2) was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 6-aminonaphthalene-1,3-disulfonic 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 6-aminonaphthalene-1,3-disulfonic acid (CAS No. 118 -33 -2). The bioconcentration factor (BCF) of 6-aminonaphthalene-1,3-disulfonic acid was estimated to be 1 (at 25 deg C).
From CompTox Chemistry Dashboard using OPERA (OPEn (qauantitative) 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 6-aminonaphthalene-1,3-disulfonic acid was estimated to be 2.46 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 6-aminonaphthalene-1,3-disulfonic 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-aminonaphthalene-1-sulfonic acid (CAS no. 81-16-3), bioaccumulation experiment was conducted on test organism Cyprinus carpio for 8 weeks for evaluating the bioconcentration factor (BCF value) of substance 2 -aminonaphthalene-1 -sulfonic acid (CAS no. 81 -16 -3) 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 6 -aminonaphthalene-1,3 -disulfonic 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, 2017), it can be concluded that the BCF value of test substance 6 -aminonaphthalene-1,3 -disulfonic acid ranges from 1 – 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 6 -aminonaphthalene-1,3 -disulfonic acid is not expected to bioaccumulate in the food chain.
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