Dialuminium tris[2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate]

Endpoint summary

Description of key information

Hydrolysis

Hydrolysis of Dialuminium tris(2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate) (CAS no. 15876 -58 -1) is predicted using OECD QSAR toolbox version 3.4 (2017) with logKow as the primary descriptor. The estimated half-life of Dialuminium tris(2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate) was estimated to be 146 days, indicating that it is not hydrolysable.

Biodegradation in water

Biodegradability of Dialuminium tris(2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate) (CAS no. 15876 -58 -1) is predicted using OECD QSAR toolbox version 3.4 (2017) with logKow as the primary descriptor. Test substance undergoes 1.82% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Dialuminium tris(2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate) was estimated to be not readily biodegradable in water.

Adsorption/desorption

The adsorption coefficient Koc in soil and in sewage sludge dialuminium tris[2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate] (CAS No. 15876 -58 -1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Sustainability Support Services (Europe) AB, Report no. 15876-58-1/01/2017/Koc, 2017). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with ACN up to10ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 5.7 Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were having Koc value ranging from 1.25 to 5.63. The Log Koc value was determined to be 1.684 ± 0.035 at 25°C. This log Koc value indicates that the substance dialuminium tris[2 -(2,4,5,7 -tetrabromo-6 -oxido-3 -oxoxanthen-9 -yl)-3,4, 5,6 -tetrachlorobenzoate] has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

Additional information

Hydrolysis

Hydrolysis of Dialuminium tris(2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate) (CAS no. 15876 -58 -1) is predicted using OECD QSAR toolbox version 3.4 (2017) with logKow as the primary descriptor. The estimated half-life of Dialuminium tris(2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate) was estimated to be 146 days, indicating that it is not hydrolysable.

Biodegradation in water

Predicted data for the target compound Dialuminium tris(2 -(2,4,5,7 -tetrabromo-6 -oxido-3 -oxoxanthen-9 -yl)-3,4,5,6 -tetrachlorobenzoate) (CAS No. 15876 -58 -1) and 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 chemicalDialuminium tris(2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate)was estimated.Test substance undergoes 1.82% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Dialuminium tris(2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate) was estimated to be not readily biodegradable in water.

 

In a supporting weight of evidence study from peer reviewed journal (U. Pagga and O. Brown, 1986) for the read across chemical Disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate (CAS no. 17372-87-1),biodegradation experiment was carried out for 42 days for evaluating the percentage biodegradation of the read across chemical 2 -(2,4,5,7 -tetrabromo-6 -oxido-3 -oxo-3H-xanthen-9 -yl) using modified OECD Guideline 302B. Activated sludge was used as an inoculum. The sources of the activated sludge were treatment plants conveniently located to the laboratories carrying out the test. These treatment plants received communal and/or industrial wastewater. Concentration of inoculum i.e, activated sludge used was 0.5 g/l and initial test substance conc. used in the study was 100 mg/l. Analytical methods involve the measurement of extinction at absorption maximum 412 nm and DOC (dissolved organic carbon).The percentage degradation of the read across substance 2 -(2,4,5,7 -tetrabromo-6 -oxido-3 -oxo-3H-xanthen-9 -yl ) was determined to be -3% by using DOC removal parameter. Thus, based on percentage degradation of 2 -(2,4,5,7 -tetrabromo-6 -oxido-3 -oxo-3H-xanthen-9 -yl) was considered to be not readily biodegradable in nature.

 

For the read across chemical 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (Phloxine B) (CAS no. 18472-87-2), the biodegradability of phloxine B was studied using methods: Aerobic degradability, Warburg method and BOD measurement. Return activated sludge was obtained from the municipal sewage treatment plant, Nakahama, Osaka. Synthetic sewage preparation: Glucose, peptone and potassium dihydrogen phosphate, 30g each, were dissolved in 1 liter water and the pH was adjusted to pH 7.0 with sodium hydroxide. Seeded Dilution water: To 1 liter, 10 ml of supernatant of sludge was added. Aerobic biodegradation assay: To 750ml of sludge (MLSS ca, 3,000 ppm) 250 ml of O.03 M dye solution was added, and bubbled with air sufficiently at 20°C. 5ml sample was taken out once a day. After sampling 5ml of synthetic sewage was added to the mixture. Each sample was filtered through filter paper and diluted twenty times prior to the spectrophotometric measurement at the absorption maximum within the visible range. The decrease of dyes concentration was expressed in terms of percent to the initial absorption. The experiment was carried out for 10 days. Oxygen uptake of sludge [Warburg Method]- 2.0 ml of sludge, 0.2 ml of 1000 ppm dye solution, and 0.2 ml of 20% potassium hydroxide were pipetted into the vessel, the side arm and central well, respectively. The sludge and the dye solution were mixed and the vessel was shaken at 25°C. The oxygen uptake was measured. The oxygen uptake by sludge alone was subtracted from those by dyes addition.

Determination of BOD – Dye solution (10, 20, and 40 ppm) were prepared with the seeded dilution water and kept at 20°C (Japanese Industrial Standards Committee, 1971). The dissolved oxygen contents were measured by a dissolved oxygen meter, because of the coloration of the solutions. The COD, BOD and absorbance at 245 and 545 nm (representing ultraviolet and the visible absorbance) of Phloxine B was studied. During 10 days of the aerobic experiment, the absorbance of dye solution was measured once day for 10 days. Food Red No. 104 was scarcely decreased.Free acids of Red No.104, was precipitated due to the slight acidity (pH 6-7) of the solution. The percentage degradation of read across substance 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (Phoxine B) was determined to be 0% by using Test mat. analysis and Oxygen uptake in 10 days. Thus, based on percentage degradation 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro [2-benzofuran-1,9'-xanthen]-3-one was considered to be not readily biodegradable in nature.

 

Another Biodegradation study was conducted for 5 days for evaluating the percentage biodegradability of read across substance Dipotassium 3,6 -dichloro-2 -(2,4,5,7 -tetrabromo-6 -oxido-3 -oxoxanthen-9 -yl)benzoate (CAS no. 6441 -77 -6) using standard dilution method at a temperature of 20°C (H. Heukelekian and M. C. Rand, 1955). Sewage was used as a test inoculum. The 5 day BOD value of chemical Dipotassium 3,6 -dichloro-2 -(2,4,5,7 -tetrabromo-6 -oxido-3 -oxoxanthen-9 -yl)benzoate was determined to be 0 g/g. Thus, based on this value, Dipotassium 3,6 -dichloro-2 -(2,4,5,7 -tetrabromo-6 -oxido-3 -oxoxanthen-9 -yl)benzoate is considered to be not readily biodegradable in nature.

 

On the basis of above results for target chemicalDialuminium tris(2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate) (from OECD QSAR toolbox version 3.4, 2017) and for its read across substance (from peer reviewed journals), it can be concluded that the test substance Dialuminium tris(2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate) can be expected to be not readily biodegradable in nature.

Adsorption/desorption

The adsorption coefficient Koc in soil and in sewage sludge dialuminium tris[2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate] (CAS No. 15876 -58 -1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Sustainability Support Services (Europe) AB, Report no. 15876-58-1/01/2017/Koc, 2017). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with ACN up to10ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 5.7 Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were having Koc value ranging from 1.25 to 5.63. The Log Koc value was determined to be 1.684 ± 0.035 at 25°C. This log Koc value indicates that the substance dialuminium tris[2 -(2,4,5,7 -tetrabromo-6 -oxido-3 -oxoxanthen-9 -yl)-3,4, 5,6 -tetrachlorobenzoate] has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.