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EC number: 223-564-1 | CAS number: 3962-66-1
- 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
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 9 Mar - 19 Apr 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods
- Qualifier:
- according to guideline
- Guideline:
- other: Chemical Test Methods (China Environmental Science Press, 2004)
- Deviations:
- yes
- Remarks:
- Because it was discovered during the adsorption kinetics test that when soil E was at soil to water ratios of 1 : 25 and 1 : 50, the test substance was almost completely adsorbed, the soil to water ratio of 1 : 100 was therefore added for testing soil E.
- Qualifier:
- according to guideline
- Guideline:
- other: Guidelines for the Testing of Chemicals (HJ/T 153-2004)
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method)
- Deviations:
- not specified
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- According to GLP standards of China.
- Type of method:
- batch equilibrium method
- Media:
- soil
- Radiolabelling:
- no
- Test temperature:
- 25 ± 1 °C
- Analytical monitoring:
- yes
- Remarks:
- HPLC
- Details on sampling:
- - Sampling interval: 1, 3, 5, 7, and 24 hours
- Matrix no.:
- #1
- Matrix type:
- loam
- % Org. carbon:
- 6.54
- pH:
- 7.28
- CEC:
- 28.87 other: cmol/kg
- Matrix no.:
- #2
- Matrix type:
- silty clay
- % Org. carbon:
- 1.36
- pH:
- 4.6
- CEC:
- 11.53 other: cmol/kg
- Matrix no.:
- #3
- Matrix type:
- silty clay loam
- % Org. carbon:
- 5.36
- pH:
- 6.81
- CEC:
- 22.9 other: cmol/kg
- Matrix no.:
- #4
- Matrix type:
- silt loam
- % Org. carbon:
- 1.39
- pH:
- 7.84
- CEC:
- 7.08 other: cmol/kg
- Matrix no.:
- #5
- Matrix type:
- silt loam
- % Org. carbon:
- 6.85
- pH:
- 7.96
- CEC:
- 22.13 other: cmol/kg
- Details on matrix:
- The pH values stated under 'Matrix properties' is for 0.01 mol/L CaCl2 solution.
COLLECTION AND STORAGE
See also 'Any other information on materials and methods incl. tables'
- Collection procedures: 10-15 cm of surface-layer soil was collected and immediately sent to the laboratory under room temperature conditions, and the original nature of the soil was retained as much as possible.
- Soil preparation (e.g.: 2 mm sieved; air dried etc.): The test soil was air dried at room temperature (20-25°C), ground finely and sieved (0.3 mm), and mixed thoroughly. Soil moisture content was measured by gravimetric method after oven drying (105°C). For all subsequent calculations in the test results, soil mass referred to oven-dried mass (dry mass).
- Details on test conditions:
- TEST CONDITIONS
- Soil suspension pH (before and after contact with the test substance): 4.10 - 7.37
TEST SYSTEM
- Type, size and further details on reaction vessel: 150 mL glass Erlenmeyer flasks with hard stoppers
- Soil/ solution ratios used for the test: 1/5, 1/25, 1/50 and 1/100
- Number of reaction vessels/concentration: 2
- Method of preparation of test solution: Standard stock solution I (1000 mg/L): 0.1019 g test substance was precisely weighed, dissolved with acetonitrile and diluted to 100 mL, yielding test substance standard stock solution I of concentration 1000 mg/L. - Computational methods:
- See 'Any other information on materials and methods incl. tables'
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 2.68
- Matrix:
- #1 (A) Jilin black soil
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- 2.75
- Matrix:
- #2 (B) Jiangxi red soil
- Sample No.:
- #3
- Type:
- log Koc
- Value:
- 2.94
- Matrix:
- #3 (C) Jiangsu rice paddy soil
- Sample No.:
- #4
- Type:
- log Koc
- Value:
- 3.13
- Matrix:
- #4 (D) Shandong loess
- Sample No.:
- #5
- Matrix:
- #5 (E) Gansu meadow soil
- Remarks on result:
- not measured/tested
- Remarks:
- The test substance was completely adsorbed, it was not possible to calculate the adsorption coefficient, and subsequent testing was not possible for soil E.
- Adsorption and desorption constants:
- See 'Any other information on results incl. tables'
- Recovery of test material:
- In analysis of the 0.200 mg/L and 1.00 mg/L spike water sample, mean sample recovery rates were 96.8% and 95.5% and relative standard deviations were 0.789% and 0.397%.
When the spike concentration of test substance in the soil was 10.0 mg/kg, recovery rates for soils A, B, C, D, and E were 88.7 - 101% and relative standard deviations were 0.574 - 1.21%. - Sample no.:
- #1
- Duration:
- 24 h
- % Adsorption:
- 99
- Remarks on result:
- other: determined for soil A (Jilin black soil)
- Sample no.:
- #2
- Duration:
- 24 h
- % Adsorption:
- 97.1
- Remarks on result:
- other: determined for soil B (Jiangxi red soil)
- Details on results (Batch equilibrium method):
- PRELIMINARY TEST
The results of the pre-test revealed that, after shaking at a constant temperature for 24 hours, distribution of the test substance reached equilibrium in the aqueous phase and the soil phase, and the most suitable soil to water ratio for the adsorption test was 1 : 25.
MAIN TEST: PERFORMANCE
- Test material stability during adsorption/desorption phase: in the test period, the test substance was stable in the test system.
- Other observations: The results indicate that the test substance had no pronounced adsorption on the walls of the test vessel. - Validity criteria fulfilled:
- yes
- Remarks:
- According to Chinese guidelines.
- Conclusions:
- The adsorption distribution coefficient (Kd) of D5-NAD in A (Jilin black soil), B (Jiangxi red soil), C (Jiangsu rice paddy soil), and D (Shandong loess) were 31.3, 7.64, 46.7, and 18.7 cm3g-1. The adsorption coefficient Koc values in order were 479, 562, 872, and 1343 cm3g-1, respectively. Log Koc values were 2.68, 2.75, 2.94, and 3.13. With E (Gansu meadow soil), at the soil to water ratio of 1/100, the test substance was completely adsorbed, it was not possible to calculate the adsorption coefficient, and subsequent testing was not possible for soil E.
- Executive summary:
In accordance with the Guidelines for the Testing of Chemicals (HJ/T 153-2004) and Chemical Test Methods (China Environmental Science Press, 2004), and with reference to Adsorption -Desorption Using a Batch Equilibrium Method (OECD TG 106), this test measured the adsorption (adsorption coefficients) of the chemical substance in soils with different properties, to predict the distribution characteristics of this substance under different environmental conditions and its impact on the ecological environment.
The present study selected five soils with different pH, organic carbon content, soil texture, and other physical-chemical properties, collected from Jiangxi, Jiangsu, Jilin, Shandong, and Gansu Provinces in China. The batch equilibrium method was adopted to carry out several tiers of testing, including a pre-test (test 1), an adsorption kinetics test (test 2), and an adsorption isotherm test and desorption kinetics/desorption isotherm (test 3), to determine the adsorption/desorption properties of D5-NAD.
The adsorption distribution coefficient (Kd) of D5-NAD in A (Jilin black soil), B (Jiangxi red soil), C (Jiangsu rice paddy soil), and D (Shandong loess) were 31.3, 7.64, 46.7, and 18.7 cm3g-1. The adsorption coefficient Koc values in order were 479, 562, 872, and 1343 cm3g-1, respectively. Log Koc values were 2.68, 2.75, 2.94, and 3.13. With E (Gansu meadow soil), at the soil to water ratio of 1/100, the test substance was completely adsorbed, it was not possible to calculate the adsorption coefficient, and subsequent testing was not possible for soil E.
The results of the desorption kinetics test revealed that during the 24-hour desorption equilibrium time, in soil systems A (Jilin black soil), B (Jiangxi red soil), C (Jiangsu rice paddy soil), D (Shandong loess), and E (Gansu meadow soil), the test substance was not detected in the supernatant liquid and the test substance was not clearly desorbed in the five soils.
Reference
Freundlich Adsorption Equation and Relevant Parameters:
Soil | Freundlich adsorption equation | KFads(µg 1-1/n(cm3)1/ng-1) | 1/n |
A | y = 0.7612x + 0.064, R2 = 0.998 | 1.16 | 0.761 |
B | y =0.9554x - 0.4624, R2 = 0.9981 | 0.345 | 0.955 |
C | y = 1.0144x + 0.2655, R2 = 0.9973 | 1.84 | 1.01 |
D | y =0.7657x - 0.3966, R2 = 0.9996 | 0.799 | 1.03 |
Adsorption isotherm test
The adsorption isotherm test revealed that the adsorption isotherms for D5-NAD in A (Jilin black soil), B (Jiangxi red soil), C (Jiangsu rice paddy soil), and D (Shandong loess) conformed relatively well to the Freundlich adsorption equation. Correlation coefficients were all larger than 0.9, Freundlich adsorption coefficients (KFads) were 1.16, 0.345, 1.84, and 0.799 μg-1/n (cm3)1/ng-1, and 1/n values were 0.761, 0.955, 1.01, and 1.03.
Desorption kinetics
The results of the desorption kinetics test revealed that during the 24-hour desorption equilibrium time, in soil systems A (Jilin black soil), B (Jiangxi red soil), C (Jiangsu rice paddy soil), D (Shandong loess), and E (Gansu meadow soil), the test substance was not detected in the supernatant liquid and the test substance was not clearly desorbed in the five soils.
Description of key information
In accordance with the Guidelines for the Testing of Chemicals (HJ/T 153-2004) and Chemical Test Methods (China Environmental Science Press, 2004), and with reference to Adsorption -Desorption Using a Batch Equilibrium Method (OECD TG 106), this test measured the adsorption (adsorption coefficients) of the chemical substance in soils with different properties, to predict the distribution characteristics of this substance under different environmental conditions and its impact on the ecological environment.
The present study selected five soils with different pH, organic carbon content, soil texture, and other physical-chemical properties, collected from Jiangxi, Jiangsu, Jilin, Shandong, and Gansu Provinces in China. The batch equilibrium method was adopted to carry out several tiers of testing, including a pre-test (test 1), an adsorption kinetics test (test 2), and an adsorption isotherm test and desorption kinetics/desorption isotherm (test 3), to determine the adsorption/desorption properties of D5-NAD.
The adsorption distribution coefficient (Kd) of D5-NAD in A (Jilin black soil), B (Jiangxi red soil), C (Jiangsu rice paddy soil), and D (Shandong loess) were 31.3, 7.64, 46.7, and 18.7 cm3g-1. The adsorption coefficient Koc values in order were 479, 562, 872, and 1343 cm3g-1, respectively. Log Koc values were 2.68, 2.75, 2.94, and 3.13. With E (Gansu meadow soil), at the soil to water ratio of 1/100, the test substance was completely adsorbed, it was not possible to calculate the adsorption coefficient, and subsequent testing was not possible for soil E.
The results of the desorption kinetics test revealed that during the 24-hour desorption equilibrium time, in soil systems A (Jilin black soil), B (Jiangxi red soil), C (Jiangsu rice paddy soil), D (Shandong loess), and E (Gansu meadow soil), the test substance was not detected in the supernatant liquid and the test substance was not clearly desorbed in the five soils.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 343
Additional information
The key value chosen was determined in soil D (Shandong loess).
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