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EC number: 281-876-3 | CAS number: 84051-87-6
Endpoint summary
Administrative data
Description of key information
Hydrolysis
HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was determined to be 61.4 days and 6.14 days at pH 7.0 and 8.0 (at 25ᵒC) respectively. Thus, based on the half-life value (at pH 7.0), it indicates that the test chemical it is not hydrolysable.
Biodegradation in water
Estimation Programs Interface Suite (2018) was run to predict the biodegradation potential of the test chemical in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that test chemical is expected to be not readily biodegradable.
Bioaccumulation: aquatic / sediment
In accordance with column 2 of Annex IX of the REACH regulation,testing for this endpointis scientifically not necessary and does not need to be conducted since the test chemicalhas a low potential for bioaccumulation based on logKow ≤ 3.
Adsorption / desorption
The adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Experimental study report, 2018). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately pipetting 4 microlitre of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 492 mg/l(calculated according to density). The pH of test substance was 4.9. 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 Acetanilide, 4-chloroaniline, 4 -methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5-Dichloroaniline, 4-nitrophenol, 2 -nitrophenol, 2 -nitrobenzamide, 3 -nitrobenzamide, Nitrobenzene, 4-Nitrobenzamide, 1-naphthylamine, 1-naphthol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, Phenol, N,N-dimethylbenzamide, 3,5 -dinitrobenzamide, N-methylbenzamide, Benzamide, phenanthrene, DDT having Koc value ranging from 1.25 to 5.63. The Log Koc value of test chemical was determined to be 2.059 ± 0.000 at 25°C. This log Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
Additional information
Hydrolysis
HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was determined to be 61.4 days and 6.14 days at pH 7.0 and 8.0 (at 25ᵒC) respectively. Thus, based on the half-life value (at pH 7.0), it indicates that the test chemical it is not hydrolysable.
Biodegradation in water
Predicted data and various experimental studies of the test chemical were reviewed for the biodegradation end point which are summarized as below:
In a prediction using the Estimation Programs Interface Suite (2018), the biodegradation potential of the test chemical in the presence of mixed populations of environmental microorganisms was estimated. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that test chemical is expected to be not readily biodegradable.
In a supporting weight of evidence study from peer reviewed journal (Pagga et al, 1986) for the test item,the aerobic biodegradation experiment was performed for test chemical using activated sludge at concentration 0.5 g/L dry material as inoculums and initial concentration of chemical taken was 100 mg/L for 42 days. By considering DOC removal parameter test chemical showed 16 % degradation in 42 days. The test chemical belongs to D category. The percentage value is very less i.e, 16% so it is concluded that test chemical is not readily biodegradable.
For the test chemical, biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of test chemical (J-CHECK, 2018 and Envichem, 2014). The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I). Activated sludge was used as a test inoculums for the study. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of test chemical was determined to be 0% by BOD and UV-Vis parameter in 28 days. Thus, based on percentage degradation, test chemical is considered to be not readily biodegradable in nature.
On the basis of above results for test chemical, it can be concluded that the test chemical can be expected to be not readily biodegradable in nature.
Bioaccumulation: aquatic / sediment
In accordance with column 2 of Annex IX of the REACH regulation,testing for this endpointis scientifically not necessary and does not need to be conducted since the test chemicalhas a low potential for bioaccumulation based on logKow ≤ 3.
Adsorption / desorption
The adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Experimental study report, 2018). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately pipetting 4 microlitre of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 492 mg/l(calculated according to density). The pH of test substance was 4.9. 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 Acetanilide, 4-chloroaniline, 4 -methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5-Dichloroaniline, 4-nitrophenol, 2 -nitrophenol, 2 -nitrobenzamide, 3 -nitrobenzamide, Nitrobenzene, 4-Nitrobenzamide, 1-naphthylamine, 1-naphthol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, Phenol, N,N-dimethylbenzamide, 3,5 -dinitrobenzamide, N-methylbenzamide, Benzamide, phenanthrene, DDT having Koc value ranging from 1.25 to 5.63. The Log Koc value of test chemical was determined to be 2.059 ± 0.000 at 25°C. This log Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
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