Disodium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

Endpoint summary

Description of key information

Bioaccumulation: aquatic/sediment

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 disodium 4 -[(E)-2 -(4 -methyl-2 -sulfophenyl)diazen-1 -yl]-3 -oxidonaphtha lene-2 -carboxylate (CAS no. 5858 -81 -1) was estimated to be 8.51 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance disodium 4 -[(E)-2 -(4 -methyl-2 -sulfophenyl)diazen-1 -yl]-3 -oxidonaphthalene-2 -carboxylate is non-bioaccumulative in nature.

Additional information

Bioaccumulation: aquatic/sediment

Predicted data for the target compound disodium 4-[(E)-2-(4-methyl-2-sulfophenyl)diazen-1-yl]-3-oxidonaphthalene-2-carboxylate(CAS No. 5858-81-1) and various supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

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 disodium 4 -[(E)-2 -(4 -methyl-2 -sulfophenyl)diazen-1 -yl]-3 -oxidonaphtha lene-2 -carboxylate (CAS no. 5858 -81 -1) was estimated to be 8.51 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance disodium 4-[(E)-2-(4-methyl-2-sulfophenyl)diazen-1-yl]-3-oxidonaphthalene-2-carboxylate is non-bioaccumulative in nature.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt (CAS no. 2611-82-7), bioaccumulation experiment was conducted on test organism Cyprinus carpio for 28 days for evaluating the bioconcentration factor (BCF value) of read across chemical 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt. 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: 100% (The test solution were input analytical equipment directly), Fish: 82.4%, - Limit of quantitation: Test water: 1st concentration area : 21µg/l, 2nd concentration area : 2.1µg/l, Fish: 260 ng/g. Test chemical nominal conc. used for the study were 0.474mg/land 0.0474 mg/l, respectively. Range finding study involve the LC50 (96 hr) > 200 mg/l onRice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt on Cyprinus carpio was determined to be ≤ 0.55 L/Kg at a conc. of 0.474 mg/l and ≤ 5.6 L/Kg at a conc. of 0.0474 mg/l, respectively.

 

Another bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical 1,3 -Naphthalenedisulfonic acid, 7 -hydroxy-8 -((4 -sulfo-1 -naphthalenyl)azo)-, trisodium salt (CAS no. 2611 -82 -7) (HSDB, 2017). The bioaccumulation factor (BCF) value was calculated using a measured water solubility of 80,000 mg/l and a recommended regression-derived equation. The estimated BCF (bioaccumulation factor) valueof 1,3 -Naphthalenedisulfonic acid, 7 -hydroxy-8 -((4 -sulfo-1 -naphthalenyl)azo)-, trisodium salt was determined to be 1.0 dimensionless.

 

For the read across chemical 4-Amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6- -(phenylazo)-2,7-Naphthalene disulfonic acid, disodium salt (CAS no. 1064-48-8) from authoritative databases (HSDB, 2017), bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical 4-Amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6- -(phenylazo)-2,7-Naphthalene disulfonic acid, disodium salt. The bioaccumulation factor (BCF) value was calculated using a log Kow and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of 4-Amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6- -(phenylazo)-2,7-Naphthalene disulfonic acid, disodium salt was determined to be 3 dimensionless.

 

On the basis of above results for target chemical disodium 4-[(E)-2-(4-methyl-2-sulfophenyl)diazen-1-yl]-3-oxidonaphthalene-2-carboxylate (from Comptox chemistry dashboard,  2017) and for its read across substance (from authoritative database J-CHECK, HSDB, 2017), it can be concluded that the BCF value of test substance disodium 4-[(E)-2-(4-methyl-2-sulfophenyl)diazen-1-yl]-3-oxidonaphthalene-2-carboxylate was estimated to be 8.51 which does not exceed the bioconcentration threshold of 2000, indicating that the chemicalbarium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate is not expected to bioaccumulate in the food chain.