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EC number: 261-867-0 | CAS number: 59703-00-3
Endpoint summary
Administrative data
Description of key information
Biodegradation in water
Biodegradability of 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride is predicted using QSAR toolbox version 3.3 with logKow as the primary descriptor (2017). Test substance undergoes 31.54% degradation by BOD in 28 days.Thus, based on percentage degradation, the test chemical 4 -ethyl-2,3 -dioxopiperazine-1 -carbonyl chloride was estimated to be not readily biodegradable in water.
Biodegradation in water and sediment
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 4 -ethyl-2,3 -dioxopiperazine-1 -carbonyl chloride (CAS No. 59703 -00 -3). If released in to the environment, 35% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediement is less than 1% (i.e, reported as 0.0835%), it indicates that the chemical 4 -ethyl-2,3 -dioxopiperazine-1 -carbonyl chloride is not persistent in sediment.
Biodegradation in soil
The half-life period of 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride(CAS No. 59073 -00 -3) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 64.9 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of4-ethyl-2,3-dioxopiperazine-1-carbonyl chloridein soil is estimated to be 75 days (1800 hrs). Based on this half-life value of4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.
Bioaccumulation: aquatic / sediment:
From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride is not expected to bio accumulate in the aquatic environment.
Adsorption / desorption:
The Soil Adsorption Coefficient i.e Koc value of 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride was estimated using EPI suite KOCWIN Program (v2.00) as Koc 10 L/kg (log Koc = 1) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride has a Negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Additional information
Biodegradation in water
2 predicted data for the target compound 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride (CAS no. 59703-00-3) and the total 3 weight of evidence studies (from authoritative database) for its closest read across substance with log Kow as the primary descriptor were reviewed for the biodegradation end point which are summarized as below:
In a prediction done by SSS (2017) using QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride (CAS no. 59703-00-3) was estimated. Test substance undergoes 31.54% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 4 -ethyl-2,3 -dioxopiperazine-1 -carbonyl chloride was estimated to be not readily biodegradable in water.
In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride (CAS no. 59703-00-3) 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 chemical 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride is expected to be not readily biodegradable.
In a weight of evidence study from authoritative database (J-CHECK, 2016) for read across substance 5,5 -Diphenyl-2,4 -Imidazolidinedione (CAS no. 57-41-0), biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance 5,5 -Diphenyl-2,4 -Imidazolidinedione. 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 substance was determined to1 and 2% by BOD and HPLC parameter in 28 days. Thus, based on percentage degradation, 5,5 -Diphenyl-2,4 -Imidazolidinedione is considered to be not readily biodegradable in nature.
Another supporting weight of evidence study of biodegradation was conducted for 14 days for evaluating the percentage biodegradability of read across substance sodium p-acetylaminobenzenesulfonate (CAS no. 6034-54-4) (J-CHECK). 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 substance was determined to 2 and 0% by BOD, TOC removal and HPLC parameter in 14 days.Thus, based on percentage degradation, sodium p-acetylaminobenzenesulfonate is considered to be not readily biodegradable in nature.
In an additional studyof read acrosssubstance N-Methylacetanilide (CAS no. 579-10-2) from authoritative database (J-CHECK, 2016), biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of test substance N-Methylacetanilide. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of test substance was determined to be 1% by BOD and 0% by both TOC removal and HPLC parameter in 28 days. Thus, the substance N-Methylacetanilide is considered to be not readily biodegradable in water.
On the basis of above results for target chemical4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride (from OECD QSAR toolbox version 3.3 and EPI Suite) and for its read across substance (from authoritative database J-CHECK), it can be concluded that the test substance 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride can be expected to be not readily biodegradable in nature.
Biodegradation in water and sediment
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 4 -ethyl-2,3 -dioxopiperazine-1 -carbonyl chloride (CAS No. 59703 -00 -3). If released in to the environment, 35% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediement is less than 1% (i.e, reported as 0.0835%), it indicates that the chemical 4 -ethyl-2,3 -dioxopiperazine-1 -carbonyl chloride is not persistent in sediment.
Biodegradation in soil
The half-life period of4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride(CAS No. 59073 -00 -3) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 64.9 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of4-ethyl-2,3-dioxopiperazine-1-carbonyl chloridein soil is estimated to be 75 days (1800 hrs). Based on this half-life value of4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.
On the basis of available information, the test substance 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride can be considered to be not readily biodegradable in nature.
Bioaccumulation: aquatic / sediment:
Three different studies from validated prediction databases for bioaccumulation endpoint of target chemical 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride (Cas no. 59703-00-3) are summarized as follows:
First study from prediction done using BCFBAF (v3.00) model indicated the estimated bio concentration factor (BCF) for 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride as 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.
Another prediction database PBT profiler propose the Bioaccumulation factor (BCF) was predicted to be 3.2 L/kg wet-wt at 25 deg.C for test chemical 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride.
Above both studies are further supported by another reliable predicted data source i.e Chemspider - ACD/PhysChem Suite and Scifinder database which indicate the Bioconcentration factor (BCF) for target chemical 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride was predicted to be 1 at pH 1-10 and temperature 25 deg.C.
All predicted values for bioaccumulation is in the range of 1 -3.2 (L/kg or dimensionless) which does not exceed the threshold of 2000. Hence, it can be concluded that the target chemical 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride (Cas no. 59703-00-3) is non bioaccumulative in aquatic environment.
Adsorption / desorption:
Three different studies from validated prediction databases for adsorption endpoint of target chemical 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride (Cas no. 59703-00-3) are summarized as followes:
First prediction done using EPI suite KOCWIN Program (v2.00) indicate the Soil Adsorption Coefficient i.e Koc value of 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride was estimated as Koc 10 L/kg (log Koc = 1) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride has negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Further, Chemspider - ACD/PhysChem Suite prediction model indicate the soil adsorption coefficient i.e Koc value of test substance 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride was estimated to be 10.23 (log koc-1) at pH 5.5 and pH 7.4 and temp.25 deg.C Koc values at different pH indicates that the substance 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride has Negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Whereas Scifinder database indicate the soil adsorption coefficient i.e Koc value of test substance 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride was estimated to be 20.1 (Log koc-1.30) at pH 1-10 and temperature 25 deg.C. This Koc value at all range of pH condition indicates that the substance 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride has Negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
All predicted values for adsorption is in the range of log Koc 1-1.30 (L/kg or dimensionless) which gives common conclusion as target chemical 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride (Cas no. 59703-00-3) has high mobility in soil/sediment compartment.
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