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EC number: 603-520-1 | CAS number: 131807-57-3
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
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- Nanomaterial pour density
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- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Biodegradation in water and sediment: simulation tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: sediment simulation testing
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 308 (Aerobic and Anaerobic Transformation in Aquatic Sediment Systems)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 835.4400 (Anaerobic Aquatic Metabolism)
- Deviations:
- no
- GLP compliance:
- yes
- Specific details on test material used for the study:
- Substance ID: DPX-JE874
Lot Number: 81022-1-5-1
Radiochemical Purity: 98.2%
Specific Activity: 44.4 µCi/mg - Radiolabelling:
- yes
- Oxygen conditions:
- anaerobic
- Inoculum or test system:
- other: Anaerobic River Water
- Details on source and properties of surface water:
- - Details on collection: Submerged carboys to a depth of 30-50 cm (anaerobic zone) and then opened lids to collect water. (location: Chadds Ford, Pennsylvania and Preston, Maryland for the samples Brandywine and Choptank, respectively).
- Storage conditions: Same day transport to testing facility where it is refrigerated
- Storage length: 15 days
- Electrical conductivity: 0.18 and 0.23 mmhos/cm for the samples Brandywine and Choptank, respectively
- pH: 7.3 and 7.2 for the samples Brandywine and Choptank, respectively
- Hardness (CaCO3): 53 and 72 mg/L for the samples Brandywine and Choptank, respectively
- Final total organic carbon: 7.2 and 4.4 mg/L for the samples Brandywine and Choptank, respectively
- Water filtered: No - Details on source and properties of sediment:
- - Details on collection: Used a shovel to the same depth as water (30-50 cm) and collected entire 5-15 cm layer; (location: Chadds Ford, Pennsylvania and Preston, Maryland for the samples Brandywine and Choptank, respectively).
- Storage conditions: Same day transport to testing facility where it is refrigerated
- Storage length: 15 days
- pH: 5.2 and 6.8 for the samples Brandywine and Choptank, respectively
- Hardness (CaCO3): 0.4 and 0.2% for the samples Brandywine and Choptank, respectively
- Dissolved organic carbon: 7.1 and 0.52% for the samples Brandywine and Choptank, respectively
- Initial sediment biomass (μg organic carbon/g dry sediment): 62.3 and 20.8 for the samples Brandywine and Choptank, respectively - Duration of test (contact time):
- 100 d
- Initial conc.:
- 0.1 other: mg/kg
- Based on:
- act. ingr.
- Parameter followed for biodegradation estimation:
- radiochem. meas.
- Details on study design:
- TEST CONDITIONS
- Volume of test solution/treatment: 225 μL
- Medium: One sediment / water system (Brandywine Creek) was selected as an example of sediment with high silt content and high organic carbon content. The other sediment / water system (Choptank River) was selected as an example of sediment with high sand content and low organic carbon content.
- Test temperature: 20 ± 2°C
- Continuous darkness: yes
- Any indication of the test material adsorbing to the walls of the test apparatus: No
TEST SYSTEM
- Culturing apparatus: Glass incubation vessel, nitrogen flow through system for anaerobic incubation, connections made with PTFE tubing
- Number of culture flasks/concentration: Treatments: 1 radiolabel, 18 vessels per sediment; Control: 10 vessels per sediment (including dedicated control); Number of replicates: Two per sacrifice interval
- Method used to create anaerobic conditions: The water was deaerated by purging the water with an anaerobic gas mixture (5%H2:5%CO2:90%N2).
- Details of trap for CO2 and volatile organics if used: One ethylene glycol (organic volatiles) and one 1.5N KOH (CO2), per vessel
SAMPLING
- Sampling frequency: Duplicate vessels were removed for analysis at zero-time (immediately after treatment), at 7, 14, 30, 50, 70, and 100 days. For volatiles, no trapping media were collected with the zero-time samples. At each interval, the EG and KOH trapping solutions were sampled. Between intervals, all traps were replenished at 21, 42, 50, and 70 days after dosing.
- Sample storage before analysis: Stored in a freezer at ca -20 °C
STATISTICAL METHODS:
Mean results were calculated from the results of individual replicates. Where assessment of the variability within replicates was required, mainly for analytical data, coefficients of variance were calculated.
Determination of Degradation Kinetics: The percentage of applied radioactivity present as parent DPX-JE874 was plotted against experimental days using Computer Aided Kinetic Evaluation (CAKE) software (version 3.2). Single First Order (SFO) kinetics model.
All of the observed data values were used without modification. For Day 0 data, the appearance of bound residues was assumed to be the result of soil contact. Therefore, for the kinetic assessment, all residues observed at Day 0 were added back to the parent test substance total. - Reference substance:
- other: non radiolabelled test substance
- Reference substance:
- other: IN-MN468
- Reference substance:
- other: IN-MN467
- Reference substance:
- other: IN-JS940
- Reference substance:
- other: IN-KZ007
- Key result
- Compartment:
- other: Surface water
- DT50:
- 1.34 d
- Type:
- other: SFO
- Temp.:
- 20 °C
- Remarks on result:
- other: Brandywine Creek
- Key result
- Compartment:
- other: Total system
- DT50:
- 1.83 d
- Type:
- other: SFO
- Temp.:
- 20 °C
- Remarks on result:
- other: Brandywine Creek
- Key result
- Compartment:
- other: Surface water
- DT50:
- 1.44 d
- Type:
- other: SFO
- Temp.:
- 20 °C
- Remarks on result:
- other: Choptank River
- Key result
- Compartment:
- other: Total system
- DT50:
- 1.53 d
- Type:
- other: SFO
- Temp.:
- 20 °C
- Remarks on result:
- other: Choptank River
- Transformation products:
- yes
- No.:
- #2
- No.:
- #3
- No.:
- #1
- Details on transformation products:
- - Pathways for transformation: The proposed pathway of the transformation of the test substance is via opening of the oxazolidinedione ring to form IN-JL856. Subsequent loss of the phenyl hydrazine group from IN-JL856 to form IN-JS940 is then followed by decarboxylation of IN-JS940 to form IN-H3310. Further degradation of IN-H3310 is unresolved polar compounds in surface water, minor fragments that are incorporated into the sediment matrix, and the formation of CO2.
- Maximum occurrence of each transformation product: The major degradation products observed in the water phase were IN-JL856 (proposed), IN-JS940, and IN-H3310. The major degradation products observed in the sediment phase were IN-JS940, and IN-H3310. - Volatile metabolites:
- yes
- Remarks:
- CO2
- Residues:
- yes
- Details on results:
- TEST CONDITIONS
- Anaerobicity, moisture, temperature and other experimental conditions maintained throughout the study: Yes
TOTAL UNIDENTIFIED RADIOACTIVITY (RANGE) OF APPLIED AMOUNT: The largest single unidentified region was 8.7% AR at Day 50
EXTRACTABLE RESIDUES
- % of applied amount at day 0 (Radioactivity in Water): 90.0 and 86.4% for Brandywine and Choptank test systems, respectively.
- % of applied amount at end of study period (Radioactivity in Water): 9.5 and 48.3% for Brandywine and Choptank test systems, respectively.
NON-EXTRACTABLE RESIDUES
- % of applied amount: 29.8 (day 70 and 100) and 12.3% (day 70) for Brandywine and Choptank test systems, respectively.
MINERALISATION
- Levels of CO2 increased gradually over the duration of the study with a greater extent of mineralization occurring in the Brandywine sediment. Overall mineralization levels were low in both systems.
VOLATILIZATION
- % of the applied radioactivity present as volatile organics at end of study: Volatile 14C gases accounted for negligible radioactivity. - Conclusions:
- Dissipation of the test substance from surface water from both systems was rapid, with DT50 values of 1.3 and 1.4 days for Brandywine and Choptank, respectively. Dissipation from the total system was also rapid with DT50 values of 1.8 and 1.5 days for Brandywine and Choptank systems, respectively.
The major degradation products observed in the water phase were IN-JL856 (proposed), IN-JS940, and IN-H3310. The major degradation products observed in the sediment phase were IN-JS940, and IN-H3310.
Based on the results of this study, the test substance would be expected to dissipated from anaerobic water sediment systems. - Executive summary:
The rate of degradation of [14C]-test substance was studied in two anaerobic sediments and their associated surface waters. The sediments and overlying waters were collected from Brandywine Creek, Chadds Ford, Pennsylvania, USA (silt loam) and Choptank River, Preston, Maryland, USA (sand).
Test systems were prepared in glass bottles at a sediment:water ratio of 1:3 (w:w). Test vessels were connected to traps for collection of volatiles and incubated under anaerobic conditions at 20 ± 2°C in the laboratory for 18 days prior to test substance application. The test substance was applied to the water surface at a nominal rate of 0.1 μg a.i./mL of water. Samples were analysed immediately following test item application (zero time) and after the following periods of anaerobic incubation: 7, 14, 30, 50, 70, and 100 days.
At each sampling interval the water was removed from the sediment by decanting and the waters assayed for radioactivity content by LSC. Sediment samples were extracted with once with acetonitrile, once with acetonitrile/ water (4/1; v/v) and once with acetonitrile/ methanol (3/1; v/v). Extractable radioactivity was quantified by liquid scintillation counting (LSC). Non-extractable 14C-residues were quantified by combustion analysis. Radioactive components in the surface waters and sediment extracts were quantified separately by reversed phase high performance liquid chromatography with radiochemical detection.
The material balance was quantitative for all samples and was in the range 83.2 to 115.2% of the applied radioactivity (AR).
For the Brandywine and the Choptank test systems, radioactivity in the water phase decreased progressively from near quantitative levels at zero time throughout the study duration. Radioactivity recovered in sediment extracts increased as the concentration in the water decreased reaching a maximum of 61.6% and 37.1% AR in the Brandywine and Choptank test sytems respectively. Unextractable residues maximized to 29.8% and 12.3% AR in the Brandywine River and Choptank test systems, respectively. The amount of radioactivity recovered as 14CO2 increased with time reaching 18.5% and 6.8% AR by the final timepoint in the Brandywine and Choptank test systems, respectively. The amount of volatile organics was below quantification levels throughout the study duration.
Due to substantial non-extractable residue with the initial solvents, extractions with additional array of solvents of varying polarity were attempted. These extractions were performed on the non-extractable residues of selected samples, which contained > 20% NER from the Brandywine test system. The solvents used and the maximum amounts of extractable radioactivity were toluene (0.5% AR), dichloromethane (0.5% AR), and ethyl acetate (0.6% AR). After attempted extractions with all of these solvents, the residue was considered unextractable.
Non-extractable residues in the Brandywine test system were characterised further using organic matter fractionation. The non-extractable residues of select samples from each test system was fractionated into humin, fulvic acid and humic acid fractions. The majority of the radioactivity (25.1% AR) was characterised as being associated with the humin fraction of the sediment organic matter, while the balance was found in humic and fulvic acid fractions. A substantial amount of radiocarbon in humic and fulvic acid fractions indicated substantial incorporation of the radiocarbon into natural constituents.
The test substance undergoes microbial degradation in anaerobic sediment via opening of the oxazolidinedione ring to form IN-JS940 and IN-H3310. Further degradation of these metabolites led to products that are incorporated into the sediment matrix and the formation of CO2.
The maximum percentages of all metabolites observed in water phase are 51.0 (Day 7) and 21.5 (Day 7) for IN-JS940 and IN-H3310 respectively for Brandywine test system. For Choptank test system it is 70.3 (Day 14) and 18.0 (Day 0) for IN-JS940 and IN-H3310 respectively.
The maximum percentages of all metabolites observed in sediment phase are 16.1 (Day 70) and 34.0 (Day 70) for IN-JS940 and IN-H3310 respectively for Brandywine test system. For Choptank test system it is 14.8 (Day 70) and 21.0 (Day 100) for IN-JS940 and IN-H3310 respectively.
The maximum percentages of all metabolites observed in total system are 53.9 (Day 7) and 41.3 (Day 70) for IN-JS940 and IN-H3310 respectively for Brandywine test system. For Choptank test system it is 73.0 (Day 14) and 25.8 (Day 70) for IN-JS940 and IN-H3310 respectively.
The test substance and the metabolite IN-JS940 were initially assigned by comparison of the HPLC retention times with respective reference standards. The identity of unchanged test substance was not confirmed by LC/MS analysis due to rapid and extensive degradation in both test systems. IN-JS940 and IN-H3310 were confirmed by LC/MS analysis.
The percentage of parent test substance was plotted against time for each sediment and associated water. The dissipation from the water and degradation from the test system (DT50 and DT90) were determined using a suitable kinetic model [Single First Order], which displayed a good fit to the data.
Dissipation of the test substance from surface water from both systems was rapid, with DT50 values of 1.34 and 1.44 days for Brandywine and Choptank, respectively. Dissipation from the total system was also rapid with DT50 values of 1.83 and 1.53 days for Brandywine and Choptank systems, respectively.
The test substance dissipates rapidly from the water column to the sediment and was shown to degrade to multiple components. The test substance would be expected to dissipate from the environment from anaerobic sediment systems.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: SETAC-Europe guidelines (published March 1995)
- Deviations:
- no
- GLP compliance:
- yes
- Specific details on test material used for the study:
- Substance ID: [14C-POP]DPX-JE874
Lot Number: 3048-237
Radiochemical Purity: 99.2%
Specific Activity: 61.8 µCi/mg
Substance ID: [14C-PA]DPX-JE874
Lot Number: 3048-238
Radiochemical Purity: 98.7%
Specific Activity: 58.5 µCi/mg - Radiolabelling:
- yes
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Aerobic Water/sediment systems
- Details on source and properties of surface water:
- Water/Sediment System pH 7.1
- Details on collection: 7.6 cm deep, Lake County, Ohio
- pH at time of collection: 7.1
- Redox potential: 210 mV
- Hardness (CaCO3): 180 mg/L
Water/Sediment System pH 7.7
- Details on collection: 61 cm deep, Lake County, Ohio
- pH at time of collection: 7.7
- Redox potential: 112 mV
- Hardness (CaCO3): 4500 mg/L - Details on source and properties of sediment:
- Water/Sediment System pH 7.1
- Details on collection: 7.6 cm deep, Lake County, Ohio
- pH at time of collection: 5.98
- Redox potential: 36 mV
- Textural classification: Loam (48.8 % sand, 30.0% silt, 21.1 clay%)
- Organic matter (%): 2.01
- CEC (meq/100 g): 7.81
- Bulk density (g/cc): 1.19
- Biomass: 8E4 CFU/g of soil (bacterial); 3.2E2 CFU/g of soil (fungal)
Water/Sediment System pH 7.7
- Details on collection: 61 cm deep, Lake County, Ohio
- pH at time of collection: 7.2
- Redox potential: -95 mV
- Textural classification: Silt Loam (27.6 % sand, 67.6 % silt, 4.8 clay%)
- Organic matter (%): 4.51
- CEC (meq/100 g): 7.53
- Bulk density (g/cc): 1.05
- Biomass: 1E5 CFU/g of soil (bacterial); 2.2E2 CFU/g of soil (fungal) - Duration of test (contact time):
- >= 21 - <= 30 d
- Initial conc.:
- 50 µg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- radiochem. meas.
- Details on study design:
- TEST CONDITIONS
- Volume of test solution/treatment: Each of the water/sediment test vessels were treated with 5 µg of test substance. The nominal concentration of the test substance in the aqueous phase was 50 µg/L, which is below the aqueous solubility of the compound. The test substance was applied to the surface of the water in 86 to 96 µL of treatment solution.
- Composition of medium: Two test solutions of [14C-POP]DPX-JE874 and one test solution of [14C-PA]DPX-JE874 were prepared in acetonitrile.
TEST SYSTEM
Fourteen [14C-POP]DPX-JE874 test vessels were prepared from each water/sediment system and six [14C-PA]DPX-JE874 test vessels were prepared from the pH 7.7 water/sediment system. Each sample was prepared by weighing an aliquot of wet sediment (equivalent to 25 g dry weight) into a 250-mL Nalgene® centrifuge bottle. Enough water was then added to bring the final weight of water to 100 g. Two additional [14C-POP]DPX-JE874 test vessels and one additional [14C-PA]DPX-JE874 test vessel, which contained 100 g of water only, were prepared for each water/sediment type. The test systems were then incubated at 20 ± 1 °С in the dark with moist air bubbling through the water phase of each system. To ensure aerobic conditions, the test systems were allowed to incubate for 6 days prior to application of the test substance.
Water/sediment vessel fitted with the appropriate connector. The end of the glass tube bringing air into the test vessel was positioned in the water phase. The air flow did not disturb the sediment phase.
SAMPLING
pH 7.1 Water/Sediment
After application of [14C-POP]DPX-JE874, duplicate Day 0 test vessels containing only water and one test vessel containing water and sediment were taken according to the following sampling schedule; 0.08, 0.25, 1,2, 3, 4, 7, 14, 21 and 30 days after [14C-POP]DPX-JE874 application.
pH 7.7 Water/Sediment
After application of [14C-POP]DPX-JE874, duplicate Day 0 test vessels containing only water and one test vessel containing water and sediment were taken according to the following sampling schedule: 0.08, 0.25, 1,2, 3, 4, 7, 14 and 21 days.
After application of [14C-PAJDPX-JE874, one Day 0 test vessels containing only water and one test vessel containing water and sediment were taken according to the following sampling schedule: 2, 4, 7, 14 and 21 days.
Volatile Radioactivity Traps
The two 1 M KOH solution, Carbotrap™ and ethylene glycol traps from the test systems were removed for analysis at each sampling interval starting at the З-day sampling. At the time of analysis each trap was replaced with fresh solutions or traps. - Compartment:
- other: [14C-POP]test substance pH 7.1 system
- Remarks on result:
- other: Mean mass balance: 92.5%
- Compartment:
- other: [14C-POP]test substance pH 7.7 system
- Remarks on result:
- other: Mean mass balance: 95.4%
- Compartment:
- other: [14C-PA]test substance pH 7.7 system
- Remarks on result:
- other: Mean mass balance: 96.7%
- Key result
- Compartment:
- other: [14C-POP]test substance pH 7.1 system
- DT50:
- 0.07 h
- Type:
- not specified
- Temp.:
- 20 °C
- Remarks on result:
- other: DT50 water
- Key result
- Compartment:
- other: [14C-POP]test substance pH 7.1 system
- DT50:
- 0.8 d
- Type:
- not specified
- Temp.:
- 20 °C
- Remarks on result:
- other: DT50 system
- Key result
- Compartment:
- other: [14C-POP]test substance pH 7.7 system
- DT50:
- 0.43 h
- Type:
- not specified
- Temp.:
- 20 °C
- Remarks on result:
- other: DT50 water
- Key result
- Compartment:
- other: [14C-POP]test substance pH 7.7 system
- DT50:
- 0.68 d
- Type:
- not specified
- Temp.:
- 20 °C
- Remarks on result:
- other: DT50 system
- Key result
- Compartment:
- other: [14C-PA]test substance pH 7.7 system
- DT50:
- 0.48 h
- Type:
- not specified
- Temp.:
- 20 °C
- Remarks on result:
- other: DT50 water
- Key result
- Compartment:
- other: [14C-PA]test substance pH 7.7 system
- DT50:
- 2.05 d
- Type:
- not specified
- Temp.:
- 20 °C
- Remarks on result:
- other: DT50 system
- Transformation products:
- yes
- No.:
- #4
- No.:
- #3
- No.:
- #1
- No.:
- #2
- Details on transformation products:
- Under aerobic aquatic conditions, the test substance degraded at a rapid rate. The initial reaction involves the opening of the oxazolidinedione ring and loss of carbon dioxide forming IN-JL856 or the opening of the oxazolidinedione ring and cleavage of the phenylamino ring forming IN-JS940 or IN-H3310. These degradation products are formed in both water and sediment. IN-KZ007 may be formed from the biotic degradation of the test substance, and it is formed predominately in the sediment phase. The terminal products in the metabolism of the test substance are the formation of CO2 or the incorporation of radioactivity into unextractable sediment residues.
- Volatile metabolites:
- yes
- Remarks:
- CO2
- Details on results:
- MAJOR TRANSFORMATION PRODUCTS
In both [14C-POP]DPX-JE874 systems, the major terminal degradation products of DPX-JE874 were CO2 (maximum of 31.1 to 32,2% AR) and unextractable residues (maximum of 51.3 to 45.1% AR). The patterns of formation and decline of IN-KZ007, IN-H3310, IN-JL856, and IN-JS940 were well established in all systems by 21 to 30 days. As DPX-JE874 and its degradation products declined in the water/sediment systems, CO2 and unextractable residues increased.
In the [14C-PA]DPX-JE874 system, the major terminal degradation products of DPX-JE874 were unextractable residues (maximum of 45.1% AR). The patterns of formation and decline of IN-KZ007, IN-JL856 and the polar degradation products were well established by 21 days. The formation of volatile organic components probably due to the hydrolysis of DPX-JE874 reached a plateau at 14 days of <10% of the applied radiolabel.
VOLATILIZATION
- % of the applied radioactivity present as volatile organics at end of study: The level of radioactivity in the 1 M KOH trap reached 32.2% AR at 30 days in the pH 7.1 [14C-POP]DPX-JE874 water/sediment system,31.1% AR at 21 days in the [14C-POP]DPX-JE874 pH 7.7 water/sediment system and 3.3% AR at 21 days in the [14C-PA]DPX-JE874 pH 7.7 water/sediment system.
There was less than 1% of the applied radioactivity in the combined Carbotrap™ and ethylene glycol traps in each [14C-POP]DPX-JE874 water/sediment system. In the [14C-PA]DPX-JE874 water/sediment system, the volatile traps contained 9.7% AR (3.6% ethylene glycol and 6.1% Carbotrap™) by 21 days. - Conclusions:
- Based on this study, the test substance and its degradation products should dissipate rapidly from natural water/sediment systems.
The DT50 values in water and system were 0.007 hours and 0.80 days for the [14C-POP]test substance pH 7.1 system. The DT50 values in water and system were 0.43 hours and 0.68 days for the [14C-POP]test substance pH 7.7 system. The DT50 values in water and system were 0.48 hours and 2.05 days for the [14C-PA]test substance pH 7.7 system. - Executive summary:
The objectives in this study were to determine the rate and pattern of degradation of the test substance in two water/sediment systems and to determine mass balance. The rate of degradation of the test substance was evaluated using the [14C-POP]test substance in two water/sediment systems with differing characteristics: pH 7.1 and pH 7.7 systems (pH of the aqueous phase). The route of degradation of [14C-PA]test substance was characterized in the pH 7.7 system so that the degradation and metabolism of the parent molecule could be fully assessed. This study demonstrated that the test substance is readily and completely degraded under aerobic conditions in a water/sediment system.
The DT50 values in water and system were 0.007 hours and 0.80 days for the [14C-POP]test substance pH 7.1 system. The DT50 values in water and system were 0.43 hours and 0.68 days for the [14C-POP]test substance pH 7.7 system. The DT50 values in water and system were 0.48 hours and 2.05 days for the [14C-PA]test substance pH 7.7 system.
The DT90 values in water and system were 23 hours and 15 days for the [14C-POP]test substance pH 7.1 system. The DT90 values in water and system were 1.6 hours and 14 days for the [14C-POP]test substance pH 7.7 system. The DT90 values in water and system were 1.7 hours and 54 days for the [14C-PA]test substance pH 7.7 system.
The DT50 and DT90 values were generally in good agreement between all systems, even though the [14C-PA]test substance system was designed to assess the route of degradation only (smaller number of sample intervals). The difference between the DT90 value in the PA and POP labels may be caused by the smaller number or time points which may have skewed the data. The mean mass balance in all systems was over 92%.
In both [14C-POP]test substance systems, the major terminal degradation products of the test substance were CO2 and unextractable residues. The patterns of formation and decline of IN-KZ007, IN-H3310, IN-JL856, and IN-JS940 were well established in all systems by 21 to 30 days. As the test substance and its metabolites declined in the water/sediment systems, CO2 and unextractable residues increased.
In the [14C-PA]test substance system, the major terminal degradation product of the test substance was unextractable residues. The patterns of formation and decline of IN-KZ007, IN-JL856 and the polar degradation products were well established by 21 days. The formation of organic volatile component(s) reached a plateau at 14 days of <10% of the applied radioactivity. As the test substance and its metabolites declined in the water/sediment systems, the unextractable residues increased.
Based on this study, the test substance and its degradation products should dissipate rapidly from natural water/sediment systems.
Referenceopen allclose all
Based on the results of the regressions reported in the supplement, the average half-life (DT50) for DPX-JS940 is 3.5 days in the water phase of the water/sediment system.
Description of key information
Study Type | Study Details | Value | Guideline | Reliability |
Degradation Biotic - Simulation testing on ultimate degradation in surface water | Aerobic biodedradation | DT50 0.7 hours to 2.05 days | SETAC-European guidelines | 1 |
Degradation Biotic - Sediment simulation testing | Anerobic biodegradation | DT50 1.3 to 1.8 days | OPPTS 835.4400 OECD 308 | 1 |
Key value for chemical safety assessment
Additional information
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