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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 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naphthalene-2-sulfonic acid (CAS No. 87 -03 -6). The bioconcentration factor (BCF) of 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naph thalene-2 -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

4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid is not expected to bioaccumulate in the food chain.

Additional information

Bioaccumulation: aquatic / sediment

Various predicted data for the target compound 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid (CAS No. 87-03-6) 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 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naphthalene-2-sulfonic acid (CAS No. 87 -03 -6). The bioconcentration factor (BCF) of 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naph thalene-2 -sulfonic 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 1 -14) of the test substance 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naphthalene-2-sulfonic acid (CAS no. 87 -03 -6) was estimated to be approx. 1.

Bioconcentration Factor (BCF) of test chemical 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic 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 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaph thalen-2 -yl)amino]naphthalene-2-sulfonic acid (CAS No. 87 -03 -6). The bioconcentration factor (BCF) of 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naphtha lene-2 -sulfonic acid was estimated to be 1 (at 25 deg C).

 

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 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naphthalene-2 -sulfonic acid was estimated to be 2.37 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-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 disodium 4-hydroxy-7-{[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoyl]amino}naphthalene-2-sulfonate (CAS no. 20324-87-2), bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of disodium 4-hydroxy-7-{[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoyl]amino}naphthalene-2-sulfonate. 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 were2mg/land 0.2 mg/l, respectively. Analytical method involve the recovery ratio: Test water: 1st concentration area : 93.5 %, 2nd concentration area : 94.3 %, Fish : 98.9 %, - Limit of detection : Fish : 0.37 ppm. Range finding study involve the TLm (48 hr) ≥ 1000 mg/l (w/v) on Rice fish (Oryzias latipes). Lipid content of the test organism Cyprinus carpio was determined to be 2.8%. The bioconcentration factor (BCF value) of substance disodium 4-hydroxy-7-{[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoyl]amino}naphthalene-2-sulfonate on Cyprinus carpio was determined to be ≤ 0.19 L/Kg at a conc. of 2 mg/l and ≤ 1.8 L/Kg at a conc. of 0.2 mg/l, respectively.

 

For the read across chemical 4,4'-dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid) (CAS no. 134-47-4), bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of read across chemical 4,4'-dihydroxy-7,7'- ureylenedi(naphthalene-2 -sulphonic acid). Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 2mg/l and 0.2 mg/l, respectively. The bioconcentration factor (BCF value) of substance 4,4'-dihydroxy-7,7'-ureylenedi(naphthalene-2 -sulphonic acid) on Cyprinus carpio was determined to be < 0.19 L/Kg at a conc. of 2 mg/l and < 1.8 L/Kg at a conc. of 0.2 mg/l, respectively.

 

On the basis of above results for target chemical 4 -hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-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, 2017 and EnviChem, 2014), it can be concluded that the BCF value of test substance 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid ranges from 1 – 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid is not expected to bioaccumulate in the food chain.