Sodium hydrogen 8-aminonaphthalene-1,6-disulphonate

Endpoint summary

Description of key information

Biodegradation in water

Biodegradability of sodium hydrogen 8-aminonaphthalene-1,6-disulfonate (CAS no. 74543 -22 -9) is predicted using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor. Test substance undergoes 1.73% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical sodium hydrogen 8 -aminonaphthalene-1,6 -disulfonate was estimated to be not readily biodegradable in water.

Bioaccumulation: aquatic/sediment

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model (2017) in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance sodium hydrogen 8-aminonaphthalene-1,6-disulfonate 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 sodium hydrogen 8 -aminonaphthalene-1,6 -disulfonate is non-bioaccumulative in nature.

Adsorption

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 adsorption coefficient i.e KOC for test substance sodium hydrogen 8-aminonaphthalene-1,6-disulfonate was estimated to be 295 L/kg (log Koc = 2.469).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance sodium hydrogen 8-aminonaphthalene-1,6-disulfonate has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

Additional information

Biodegradation in water

Predicted data for the target compoundsodium hydrogen 8-aminonaphthalene-1,6-disulfonate(CAS No. 74543-22-9) and various supporting weight of evidence studies for its read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, percentage biodegradability of test chemicalsodium hydrogen 8-aminonaphthalene-1,6-disulfonate(CAS No. 74543-22-9) was estimated.Test substance undergoes 1.73% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical sodium hydrogen 8 -aminonaphthalene-1,6 -disulfonate was estimated to be not readily biodegradable in water.

 

In a supporting weight of evidence study from peer reviewed journal (D. Brown and B. Hamburger, 1987) for the read across chemical 4-amino-3-methylbenzenesulfonic acid (CAS no. 98-33-9),biodegradation experiment was carried out for 28 days for evaluating the percentage biodegradability of the read across substance 4 -Amino-3 -methylbenzenesulfonic acid. The study was performed according to EPA OTS 796.3180 (Ready Biodegradability: Modified AFNOR Test) under aerobic conditions. The percentage degradation of substance 4-amino-3-methylbenzenesulfonic acid was determined to be 2 and 12% by DOC removal parameter in 28 days. Thus, based on percentage degradation, 4 -Amino-3 -methylbenzenesulfonic acid was considered to be not readily biodegradable in water.

 

Another biodegradation study was carried out for 28 days for evaluating the percentage biodegradability of the read across substance 4 -Amino-3 -methylbenzenesulfonic acid (CAS no. 98 -33 -9). The study was performed according to OECD Guideline 302 B (Inherent biodegradability: Zahn-Wellens/EMPA Test) under aerobic conditions(D. Brown and B. Hamburger, 1987). The percentage degradation of substance 4 -Amino-3 -methylbenzenesulfonic acid was determined to be 22% by DOC removal parameter in 28 days. Thus, based on percentage degradation, 4 -Amino-3 -methylbenzenesulfonic acid was considered to be not readily biodegradable in nature.

 

For the same read across substance4 -Amino-3 -methylbenzenesulfonic acid (CAS no. 98 -33 -9)from peer reviewed journal (D. Brown and B. Hamburger, 1987), biodegradation study was carried out for evaluating the percentage biodegradability of the read across substance 4 -Amino-3 -methylbenzenesulfonic acid (CAS no. 98 -33 -9). Activated sludge was used as an inoculum and the study was performed under anaerobic conditions at a temperature of 35°C for a period of approx. 100 days. Samples of the aqueous phase were analyzed either qualitatively or quantitatively by an appropriate chromatographic method for the presence of certain of the expected aromatic amine metabolites. The percentage degradation of substance4 -Amino-3 -methylbenzenesulfonic acidwas determined to be 0% by appropriate chromatography method and DOC analysis in approx. 100 days. Thus, based on percentage degradation, 4 -Amino-3 -methylbenzenesulfonic acid was considered to be not readily biodegradable in nature.

 

In an another supporting weight of evidence study from peer reviewed journal (J. Ruff et.al, 1999), biodegradation experiment was conducted for 9 days for evaluating the percentage biodegradability of read across substance 6 -aminonaphthalene-1,3 -disulfonic acid (CAS no. 118-33-2). Test chemical 6 -aminonaphthalene-1,3 -disulfonic acid was purchased from TCI (Tokyo) at the highest purity available. Glassware was cleaned thoroughly and care taken to exclude extraneous sulfur. Pseudomonas putida strain S-313 was used as a test inoculum obtained from activated sludge from sewage treatment plants in Konstanz, Germany (largely communal) and Ludwigshafen, Germany (largely industrial).Initial experiments were done with the phosphate-buffered medium. The sulfur-free acetate-Tris-buffered salts medium gave the same products with negligible background growth, and thus used as a standard medium. Sulfur was provided at 50µM, except for disulfonates, where the initial sulfonate concentration was 30µM.Cultures were grown in screw-capped tubes on a roller at 30°C.Samples were taken at 3-day intervals for 9 days. Bacteria were removed by centrifugation and the protein content measured, and 100µl portions of the supernatant fluid were examined by HPLC. Substrates and products were determined by isocratic reversed-phase high-pressure liquid chromatography (HPLC) or by ion-pair chromatography. The apparatus included a diode array detector. Chromatograms were initially evaluated with wavelength settings of 245 nm for the amino-naphthalenedisulfonates. Protein was assayed by a Lowry-type method. The percentage degradation of read across chemical 6 -aminonaphthalene-1,3 -disulfonic acid was determined to be 0% by using Pseudomonas putida strain S-313 as an inoculum. Thus, based on percentage degradation, chemical 6 -aminonaphthalene-1,3 -disulfonic acid can be considered to be not readily biodegradable in nature.

 

Additional biodegradation experiment was conducted for 30 days under aerobic conditions for evaluating the percentage biodegradability of the same read across substance 6 -amino naphthalene-1,3 -disulfonic acid (CAS no. 118 -33 -2) (from peer reviewed journal (GREIM H. et. al, 1994) and secondary source). The study was performed according to OECD Guideline 301 D "Ready Biodegradability: Closed Bottle Test". Initial test substance conc. used in the study were 3, 10 and 30 mg/l, respectively. The percentage degradation of substance 6 -aminonaphthalene-1,3 -disulfonic acid was determined to be 0% by BOD parameter in 30 days. Thus, based on percentage degradation, 6 -aminonaphthalene-1,3 -disulfonic acid is considered to be not readily biodegradable in nature.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2016) for read across substance2-amino-5-methylbenzene sulfonic acid (CAS no. 88-44-8), biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of read across substance 2-amino-5-methylbenzene sulfonic acid. Concentration of inoculum i.e, activated sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of substance 2-amino-5-methylbenzene sulfonic acid was determined to be <0 and 0% by BOD, O2 consumption, TOC removal, Test mat. analysis and UV-Vis parameter in 14 days. Thus, based on percentage degradation, 2-amino-5-methylbenzene sulfonic acid is considered to be not readily biodegradable in water.

 

On the basis of above results for target chemical sodium hydrogen 8-aminonaphthalene-1,6-disulfonate (from OECD QSAR toolbox version 3.4, 2017) and for its read across substance (from peer reviewed journals, secondary source and authoritative database J-CHECK), it can be concluded that the test substance sodium hydrogen 8 -aminonaphthalene-1,6 -disulfonate can be expected to be not readily biodegradable in nature.

Bioaccumulation: aquatic/sediment

Predicted data for the target compound sodium hydrogen 8-aminonaphthalene-1,6-disulfonate (CAS No. 74543-22-9) 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 the OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model of CompTox Chemistry Dashboard (2017) where calculation was based on the PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance sodium hydrogen 8-aminonaphthalene-1,6-disulfonate 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 sodium hydrogen 8 -aminonaphthalene-1,6 -disulfonate is non-bioaccumulative in nature.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017 and EnviChem, 2014) for read across substance2-amino-5-methylbenzene sulfonic 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 read across substance 2-amino-5-methylbenzene sulfonic 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". Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 2 mg/l and 0.2 mg/l, respectively. Range finding study involve the TLm (48hr) 480 mg/l (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance 2-amino-5-methylbenzene sulfonic acid on Cyprinus carpio was determined to be ≤ 0.4 L/Kg at a conc. of 2 mg/l and ≤ 4 L/Kg at a conc. of 0.2 mg/l, respectively.

 

For the read across chemical sodium 4-aminonaphthalene-1-sulfonate (CAS no. 130-13-2), bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of substance sodium 4-aminonaphthalene-1-sulfonate (CAS no. 130 -13 -2) under static conditions (J-CHECK, 2017). 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". Test chemical nominal conc. used for the study were 10 mg/l and 1 mg/l (w/v), respectively. Range finding study involve the TLm (48 hr) ≥ 4000 mg/l on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance sodium 4 -aminonaphthalene-1 -sulfonate on Cyprinus carpio was determined to be < 0.6 L/Kg at a conc. of 10 mg/l and < 6 L/Kg at a conc. of 1 mg/l, respectively.

 

On the basis of above results for target chemicalsodium hydrogen 8-aminonaphthalene-1,6-disulfonate (fromCompTox 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 sodium hydrogen 8-aminonaphthalene-1,6-disulfonate was estimated to be 2.46 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical sodium hydrogen 8-aminonaphthalene-1,6-disulfonate is not expected to bioaccumulate in the food chain.

Adsorption

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 adsorption coefficient i.e KOC for test substance sodium hydrogen 8-aminonaphthalene-1,6-disulfonate was estimated to be 295 L/kg (log Koc = 2.469).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance sodium hydrogen 8-aminonaphthalene-1,6-disulfonate has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.