7-acetamido-4-hydroxynaphthalene-2-sulphonic acid

Endpoint summary

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 7 -acetamido-4 -hydroxynaphtha lene-2 -sulfonic acid (CAS No. 6334 -97 -0). The bioconcentration factor (BCF) of 7-acetamido-4-hydroxynaphthalene-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 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid is not expected to bioaccumulate in the food chain.

Additional information

Bioaccumulation: aquatic / sediment

Various predicted data for the target compound 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid (CAS No. 6334-97-0) 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 7 -acetamido-4 -hydroxynaphtha lene-2 -sulfonic acid (CAS No. 6334 -97 -0). The bioconcentration factor (BCF) of 7-acetamido-4-hydroxynaphthalene-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 0 -14) of the test substance 7 -acetamido-4 -hydroxynaphthalene-2 -sulfonic acid (CAS no. 6334 -97 -0) was estimated to be 1.

 

Bioconcentration Factor (BCF) of test chemical 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 7-acetamido-4-hydroxynaphthalene-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 7-acetamido-4-hydroxynaphthalene-2 -sulfonic acid (CAS No. 6334 -97 -0). The bioconcentration factor (BCF) of 7-acetamido-4-hydroxynaphthalene-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 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 5.02 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 7 -acetamido-4 -hydroxynaph thalene-2 -sulfonic acid is non-bioaccumulative in nature.

 

In a supporting weight of evidence study from authoritative database J-CHECK, 2017 and EnviChem, 2014) for the read across chemical 3-hydroxy-2-naphthanilide (CAS no. 92-77-3),bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of read across substance 3 -hydroxy-2 -naphthanilide under static conditions. 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". Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 1st concentration area : 94.9 %, 2nd concentration area : 99.5 %, Fish : 81.7 %, Limit of detection : Fish : 0.29 ppm.HCO20, Crystal sugar was used as a vehicle. Test chemical nominal conc. used for the study were0.5 mg/l and 0.05 mg/l (w/v), respectively. Range finding study involve the TLm (48 hr) of ≥ 100 ppm (100 mg/l) (w/v) on Rice fish (Oryzias latipes). Lipid content of the test organism was determined to be 3.9%.The bioconcentration factor (BCF value) of substance 3-hydroxy-2-naphthanilide on Cyprinus carpio was determined to be ≤ 0.59 – 5.9 L/Kg at a conc. of 0.5 mg/l and ≤ 6.5 L/Kg at a conc. of 0.05 mg/l, respectively.

 

For the read across chemical (CAS no. 90-51-7), bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across chemical 6-Amino-4-hydroxy-2-naphthalenesulfonic acid on test organism Cyprinus carpio (J-CHECK, 2017). Nominal concentrations used was 1st Concentration area: 1.0 mg/L (w/v), 2nd Concentration area: 0.1 mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) 335 ppm(w/v).Thus according to static Fish Test the BCF value 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid was observed to be 0.1-0.5 L/kg at dose concentration 1.0 mg/L and 1-7.1 L/kg at dose concentration 0.1 mg/L on test organism Cyprinus carpio during 6 weeks period.

 

On the basis of above results for target chemical 7-acetamido-4-hydroxynaphthalene-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 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid ranges from 1 – 5.02 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical7-acetamido-4-hydroxynaphthalene-2-sulfonic acidis not expected to bioaccumulate in the food chain.