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Biodegradation in water

Biodegradability of hexasodium 4,4'-{ethene-1,2 -diylbis[(3 -sulfonato-4,1 -phenylene)imino(6 -chloro-1,3,5 -triazine-4,2 -diyl)imino]}bis{6 -[(5 -carbamoyl-1 -ethyl-2 -hydroxy-4 -methyl-6 -oxo-1,6 -dihydropyridin-3 -yl)diazenyl]benzene-1,3 -disulfonate}(CAS no. 68991 -98 -0) is predicted using QSAR toolbox version 3.4 (2018) with logKow as the primary descriptor. Test substance undergoes 1.6% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical hexasodium 4,4'-{ethene-1,2 -diylbis[(3 -sulfonato-4,1 -phenylene)imino(6 -chloro-1,3,5 -triazine-4,2 -diyl)imino]}bis{6 -[(5 -carbamoyl-1 -ethyl-2 -hydroxy-4 -methyl-6 -oxo-1,6 -dihydropyridin-3 -yl)diazenyl]benzene-1,3 -disulfonate} was estimated to be not readily biodegradable in water.

Additional information

Biodegradation in water

Predicted data for the target compound hexasodium 4,4'-{ethene-1,2 -diylbis[(3 -sulfonato-4,1 -phenylene)imino(6 -chloro-1,3,5 -triazine-4,2 -diyl)imino]}bis{6 -[(5 -carbamoyl-1 -ethyl-2 -hydroxy-4 -methyl-6 -oxo-1,6 -dihydropyridin-3 -yl)diazenyl]benzene-1,3 -disulfonate} (CAS No. 68991 -98 -0) and various supporting weight of evidence studies for its structurally and functionally similar read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In a prediction done by SSS (2018) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, percentage biodegradability of test chemical hexasodium 4,4'-{ethene-1,2 -diylbis[(3 -sulfonato-4,1 -phenylene)imino(6 -chloro-1,3,5 -triazine-4,2 -diyl)imino]}bis{6 -[(5 -carbamoyl-1 -ethyl-2 -hydroxy-4 -methyl-6 -oxo-1,6 -dihydropyridin-3 -yl)diazenyl]benzene-1,3 -disulfonate} (CAS No. 68991 -98 -0) was estimated.Test substance undergoes 1.6% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical hexasodium 4,4'-{ethene-1,2 -diylbis[(3 -sulfonato-4,1 -phenylene)imino(6 -chloro-1,3,5 -triazine-4,2 -diyl)imino]}bis{6 -[(5 -carbamoyl-1 -ethyl-2 -hydroxy-4 -methyl-6 -oxo-1,6 -dihydropyridin-3 -yl)diazenyl]benzene-1,3 -disulfonate} was estimated to be not readily biodegradable in water.

 

In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical disodium 2,2'-ethene-1,2 -diylbis{5 -[(4 -anilino-6 -morpholin-4 -yl-1,3,5 -triazin-2 -yl)amino]benzenesulfonate} (CAS no. 16090 -02 -1), biodegradation experiment was carried out using river die away test for 35 days for evaluating the percentage biodegradability of read across substance disodium 2,2'-ethene-1,2 -diylbis{5 -[(4 -anilino-6 -morpholin-4 -yl-1,3,5 -triazin-2 -yl)amino]benzenesulfonate}. Initial test substance conc. used was 1 mg/l (1000 ppb). The percentage degradation of substance disodium 2,2'-ethene-1,2 -diylbis{5 -[(4 -anilino-6 -morpholin-4 -yl-1,3,5 -triazin-2 -yl)amino]benzenesulfonate} was determined to be 0% after 35 days by using CO2 evolution parameter. Thus, based on percentage degradation, disodium 2,2'-ethene-1,2 -diylbis{5 -[(4 -anilino-6 -morpholin-4 -yl-1,3,5 -triazin-2 -yl)amino]benzenesulfonate} is considered to be not readily biodegradable in nature.

 

For the same read across chemical disodium 2,2'-ethene-1,2 -diylbis{5 -[(4 -anilino-6 -morpholin-4 -yl-1,3,5 -triazin-2 -yl)amino]benzenesulfonate} (CAS no. 16090 -02 -1), biodegradation study was conducted for 5 days for evaluating the percentage biodegradability of read across substance disodium 2,2'-ethene-1,2 -diylbis{5 -[(4 -anilino-6 -morpholin-4 -yl-1,3,5 -triazin-2 -yl)amino]benzenesulfonate} (HSDB, 2017). Bacteria was used as a test inoculum for the study. The 5 day BOD value of chemical disodium 2,2'-ethene-1,2 -diylbis{5 -[(4 -anilino-6 -morpholin-4 -yl-1,3,5 -triazin-2 -yl)amino]benzenesulfonate} was determined to be 0 g O2/g test material. Thus, based on this BOD5 value, substance disodium 2,2'-ethene-1,2 -diylbis{5 -[(4 -anilino-6 -morpholin-4 -yl-1,3,5 -triazin-2 -yl)amino]benzenesulfonate} is considered to be not readily biodegradable in nature.

 

On the basis of above results for target chemical hexasodium 4,4'-{ethene-1,2 -diylbis[(3 -sulfonato-4,1 -phenylene)imino(6 -chloro-1,3,5 -triazine-4,2 -diyl)imino]}bis{6 -[(5 -carbamoyl-1 -ethyl-2 -hydroxy-4 -methyl-6 -oxo-1,6 -dihydropyridin-3 -yl)diazenyl]benzene-1,3 -disulfonate} (from OECD QSAR toolbox version 3.4, 2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the test substance hexasodium 4,4'-{ethene-1,2 -diylbis[(3 -sulfonato-4,1 -phenylene)imino(6 -chloro-1,3,5 -triazine-4,2 -diyl)imino]}bis{6 -[(5 -carbamoyl-1 -ethyl-2 -hydroxy-4 -methyl-6 -oxo-1,6 -dihydropyridin-3 -yl)diazenyl]benzene-1,3 -disulfonate} can be expected to be not readily biodegradable in nature.