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EC number: 810-161-6 | CAS number: 1229654-66-3
- 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
- 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, other
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 3 February 2011 - 1 April 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method)
- Qualifier:
- according to guideline
- Guideline:
- other: US EPA Fate, Transport and Transformation Test Guidelines, OPPTS 835.1230, Adsorption/Desorption (Batch Equilibrium) 2008
- Qualifier:
- according to guideline
- Guideline:
- other: Canada PMRA, Guidelines for Registration of Pesticides, Environmental Chemistry and Fate, 1987
- GLP compliance:
- yes
- Remarks:
- Ministerium für Arbeit, Gesundheit und Soziales des Landes Nordrhein-Westfalen, Düsseldorf, Germany
- Type of method:
- batch equilibrium method
- Media:
- soil
- Radiolabelling:
- yes
- Test temperature:
- 20 °C
- Analytical monitoring:
- yes
- Details on sampling:
- After each adsorption and desorption step the aqueous supernatant was separated from the soil by centrifugation and the amount of test substance in the supernatants was analyzed by liquid scintillation counting (LSC).
In the preliminary parental mass balance test, the soil was additionally extracted three times using acetonitrile. The aqueous supernatant and the combined soil extracts were analyzed by LSC and HPLC/radiodetection to determine the stability of the test item and to establish the parental mass balance. The limit of detection (LOD) and limit of quantitation (LOQ) for HPLC/radiodetection analysis were 0.3 and 0.9%AR, respectively.
The partition of the test item in the adsorption and desorption batch equilibrium experiment was determined based on the radioactivity content in the supernatant only due to the stability of the test item demonstrated by the parental mass balance. After the desorption step, the soil was air-dried and the radioactivity content determined by combustion/LSC to establish the material balance.
- Concentrations: 0.5, 0.15, 0.05, 0.015 and 0.005 mg/L in aqueous 0.01 M CaCl2
- Sampling interval: The equilibration time was 24 hours for adsorption and each desorption step.
- Sample storage before analysis: Samples were analyzed immediately after preparation or sampling. - Matrix no.:
- #1
- Matrix type:
- loamy sand
- % Clay:
- 5
- % Silt:
- 16
- % Sand:
- 79
- % Org. carbon:
- 1.8
- pH:
- 6.2
- CEC:
- 8.4 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 1.21
- Matrix no.:
- #2
- Matrix type:
- silt loam
- % Clay:
- 19
- % Silt:
- 56
- % Sand:
- 25
- % Org. carbon:
- 2.7
- pH:
- 6.4
- CEC:
- 12.7 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 1.05
- Matrix no.:
- #3
- Matrix type:
- silt loam
- % Clay:
- 15
- % Silt:
- 54
- % Sand:
- 31
- % Org. carbon:
- 2.7
- pH:
- 5.3
- CEC:
- 9.6 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 1.04
- Matrix no.:
- #4
- Matrix type:
- loam
- % Clay:
- 25
- % Silt:
- 40
- % Sand:
- 35
- % Org. carbon:
- 5.1
- pH:
- 7.3
- CEC:
- 19.3 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 0.96
- Details on matrix:
- COLLECTION AND STORAGE
The soils were sampled from the field (upper horizon of 0 to 20 cm), sieved to a particle size of ≤ 2 mm and stored at ambient temperature for approx. 3 months before study start. The soils were air-dried before application. The soils were taken from agricultural areas representing different geographical origins and different soil properties as required by the guidelines.
- Geographic location: Soils 1, 2, 3, 4 Monheim am Rhein, Burscheid, Burscheid and Blankenheim, Germany, respectively
- Collection procedures: with spade and placed in plastic bags
- Sampling depth (cm): 0 - 20 cm
- Storage conditions: sieved to a particle size of ≤ 2 mm and stored at ambient temperature
- Storage length: approx. 3 months before study start
- Soil preparation (e.g.: 2 mm sieved; air dried etc.): 2 mm sieved and air-dried
PROPERTIES
- Soil texture #1: Loamy sand; #2 Silt loam; #3 Silt loam; #4 Loam
- % sand: #1: 79; #2 25; #3 31; #4 35
- % silt: #1: 16; #2 56; #3 54; #4 40
- % clay: #1: 5; #2 19; #3 15; #4 25
- Soil taxonomic classification: #1: Sandy, mixed mesic, Typic Cambudolls; #2 Loamy, mixed mesic, Typic Argudalfs; #3 Not applicable; #4 Not applicable
- Soil classification system: USDA
- Soil series: Not applicable
- pH: (0.01 M CaCl2 1/2): #1: 6.2; #2 6.4; #3 5.3; #4 7.3
- Organic carbon (%): #1: 1.8; #2 2.7; #3 2.7; #4 5.1
- CEC (meq/100 g): #1: 8.4; #2 12.7; #3 9.6; #4 19.3
- Moisture at 1/3 atm (%): #1: 11.1; #2 23.1; #3 25.6; #4 33.9
- Bulk density (g/cm3): #1: 1.21; #2 1.05; #3 1.04; #4 0.96 - Details on test conditions:
- TEST CONDITIONS
- Buffer: 0.01 M CaCl2
- pH: 5.7
- Suspended solids concentration: a soil-to-solution ratio of 1/4 (5 g soil (dry weight equivalents)/20 mL solution) for soils Laacher Hof AXXa, Hoefchen Am Hohenseh 4a and Hanscheiderhof and 1/10 (2 g soil (dry weight equivalents)/20 mL solution) for soil Dollendorf II, respectively.
- other: The adsorption and desorption steps were carried out each for 24 hours in the dark at 20 ± 1 °C under continuous agitation.
TEST SYSTEM
- Type, size and further details on reaction vessel: Teflon® centrifuge tubes (volume 42 mL) closed with screw caps. The experiments were performed in duplicate.
- Water filtered (i.e. yes/no; type of size of filter used, if any): No
- Number of reaction vessels/concentration: duplicates
- Test performed in closed vessels due to significant volatility of test substance: Test vessels closed via screw cap. Test substances and/or metabolites are not volatile.
- Test performed in open system:
- Are the residues from the adsorption phase used for desorption: The desorption phase was performed by supplying pre-adsorbed soil samples with fresh aqueous 0.01 M CaCl2 solution for all test concentrations. - Sample No.:
- #1
- Duration:
- 24 h
- Initial conc. measured:
- >= 0.005 - <= 0.5 other: mg/L
- pH:
- 6.2
- Temp.:
- ca. 20 °C
- Remarks:
- Loamy sand
- Sample No.:
- #2
- Duration:
- 24 h
- Initial conc. measured:
- >= 0.005 - <= 0.5 other: mg/L
- pH:
- 6.4
- Temp.:
- ca. 20 °C
- Remarks:
- Silt loam
- Sample No.:
- #3
- Duration:
- 24 h
- Initial conc. measured:
- >= 0.005 - <= 0.5 other: mg/L
- pH:
- 5.3
- Temp.:
- ca. 20 °C
- Remarks:
- Silt loam
- Sample No.:
- #4
- Duration:
- 24 h
- Initial conc. measured:
- >= 0.005 - <= 0.5 other: mg/L
- pH:
- 7.3
- Temp.:
- ca. 20 °C
- Remarks:
- Loam
- Sample no.:
- #1
- Duration:
- 24 h
- Conc. of adsorbed test mat.:
- 0.879 mg/kg soil d.w.
- pH:
- 6.2
- Temp.:
- 20 °C
- Remarks:
- Loamy sand at inital concentration of a.i. of 0.55 mg/L
- Sample no.:
- #2
- Duration:
- 24 h
- Conc. of adsorbed test mat.:
- 1.182 mg/kg soil d.w.
- pH:
- 6.4
- Temp.:
- 20 °C
- Remarks:
- Silt loam at inital concentration of a.i. of 0.55 mg/L
- Sample no.:
- #3
- Duration:
- 24 h
- Conc. of adsorbed test mat.:
- 1.013 mg/kg soil d.w.
- pH:
- 5.3
- Temp.:
- 20 °C
- Remarks:
- Silt loam at inital concentration of a.i. of 0.55 mg/L
- Sample no.:
- #4
- Duration:
- 24 h
- Conc. of adsorbed test mat.:
- 2.167 mg/kg soil d.w.
- pH:
- 7.3
- Temp.:
- 20 °C
- Remarks:
- Loam at inital concentration of a.i. of 0.55 mg/L
- Computational methods:
- - Adsorption and desorption coefficients (Kd): Calculation of the Freundlich Constantand relatedKoc was performed according to the OECD 106. The [14]C contents measured in the supernatants of the adsoption and desorption step at equilibration time was used to calculate adsorption and desorptoion isotherms as well as the organic carbon related distribution coefficients (Koc). THe calculations were made according to the following equations:
Freundlich isotherm: x/m =Kf*C^1/N
where C: concentration of a.i. in solutiom at equlibrium
x/m: adsorbed amount of a.i./weight unit of adsorbent (soil) at equilibrium (µg/g)
Kf: Freundlich constant
n: dimensionless
After Log-transformation the Freundlich equation can be written as:
Log(x/m)=1/n*Log(C)+Log(Kf)
- Freundlich adsorption and desorption coefficients: The adsorption constants KF(ads) of calculated based on the Freundlich isotherms of the four test soils ranged from 3.798 to 10.222 mL/g (mean: 6.527 mL/g).
- Slope of Freundlich adsorption/desorption isotherms: The Freundlich exponents 1/n were in the range of 0.8970 to 0.9125 (mean: 0.9041), indicating that the concentration of the test item affects its adsorption behavior in the examined concentration range.
- Adsorption coefficient per organic carbon (Koc): The corresponding, calculated KF, OC(ads) values varied between 195.3 and 252.3 mL/g (mean: 214.8 mL/g). - Key result
- Sample No.:
- #1
- Type:
- Koc
- Remarks:
- adsorption
- Value:
- 211 L/kg
- pH:
- 6.2
- Temp.:
- 20 °C
- Matrix:
- Laacher Hof AXXa Loamy sand
- % Org. carbon:
- 1.8
- Key result
- Sample No.:
- #2
- Type:
- Koc
- Remarks:
- adsorption
- Value:
- 252.3 L/kg
- pH:
- 6.4
- Temp.:
- 20 °C
- Matrix:
- Hoefchen Am Hohenseh 4a Silt loam
- % Org. carbon:
- 2.7
- Key result
- Sample No.:
- #3
- Type:
- Koc
- Remarks:
- adsorption
- Value:
- 195.3 L/kg
- pH:
- 5.3
- Temp.:
- 20 °C
- Matrix:
- Hanscheiderhof Silt loam
- % Org. carbon:
- 2.7
- Key result
- Sample No.:
- #4
- Type:
- Koc
- Remarks:
- adsorption
- Value:
- 200.4 L/kg
- pH:
- 7.3
- Temp.:
- 20 °C
- Matrix:
- Dollendorf II Loam
- % Org. carbon:
- 5.1
- Adsorption and desorption constants:
- The adsorption constants KF(ads) of the test substance calculated based on the Freundlich isotherms of the four test soils ranged from 3.798 to 10.222 mL/g (mean: 6.527 mL/g) and the normalized adsorption constants KF, OC(ads) (normalized to organic carbon content) ranged from 195.3 to 252.3 mL/g (mean: 214.8 mL/g). The Freundlich exponents 1/n were in the range of 0.8970 to 0.9125 (mean: 0.9041), indicating that the concentration of the test item affects its adsorption behavior in the examined concentration range.
- Recovery of test material:
- At the end of the adsorption phase 53.8 – 65.4%AR was adsorbed to soil Laacher Hof AXXa, 66.6 – 75.5%AR was adsorbed to soil Hoefchen Am Hohenseh 4a, 60.2 – 70.0%AR was adsorbed to soil Hanscheiderhof and 54.7 – 66.1%AR was adsorbed to soil Dollendorf II.
- Sample no.:
- #1
- Duration:
- 24 h
- % Adsorption:
- >= 53.8 - <= 65.4
- Sample no.:
- #2
- Duration:
- 24 h
- % Adsorption:
- >= 66.6 - <= 75.5
- Sample no.:
- #3
- Duration:
- 24 h
- % Adsorption:
- >= 60.2 - <= 70
- Sample no.:
- #4
- Duration:
- 24 h
- % Adsorption:
- >= 54.7 - <= 66.1
- Sample no.:
- #1
- Duration:
- 24 h
- % Desorption:
- >= 20 - <= 26.6
- Sample no.:
- #2
- Duration:
- 24 h
- % Desorption:
- >= 14.7 - <= 19.2
- Sample no.:
- #3
- Duration:
- 24 h
- % Desorption:
- >= 18.9 - <= 23.3
- Sample no.:
- #4
- Duration:
- 24 h
- % Desorption:
- >= 21.1 - <= 27.8
- Transformation products:
- not measured
- Details on results (Batch equilibrium method):
- PRELIMINARY TEST
- Weighed soil: 5 or 2 g dwt
- Volume of CaCl2 solution: 20 mL
- Test substance concentration in final solution: 0.5 mg/L
MAIN TEST: PERFORMANCE
- Test material stability during adsorption/desorption phase: The overall material balance for all concentrations was in the range of 90.2 to 98.8% (mean: 95.0%) of the applied radioactivity.
- Experimental conditions maintained throughout the study: Yes
- Buffer/test substance interactions affecting sorption: No
- Further chemical interactions: No
- Buffer-catalyzed degradation of test substance: No - Statistics:
- Arithmetic means were used for all LSC measurements, standard deviation was calculated for the values as follows:
Square Root of (Sum((x - x(hat)^2)/n
Reference
Percentage of adsorbed and desorbed Test Substancen soils(mean values)
|
Test Concentration [mg/L] |
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|
Adsorption1 |
Desorption2 |
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Soil |
0.55 |
0.165 |
0.05 |
0.016 |
0.005 |
0.55 |
0.165 |
0.05 |
0.016 |
0.005 |
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Laacher Hof AXXa |
54.0 |
53.8 |
57.4 |
61.4 |
65.4 |
25.9 |
26.6 |
24.5 |
22.9 |
20.0 |
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Hoefchen Am Hohenseh 4a |
66.6 |
68.5 |
72.3 |
73.9 |
75.5 |
19.2 |
18.8 |
16.7 |
15.2 |
14.7 |
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Hanscheiderhof |
60.2 |
62.3 |
66.1 |
67.0 |
70.0 |
23.3 |
21.6 |
20.3 |
19.2 |
18.9 |
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Dollendorf II |
54.7 |
56.2 |
60.5 |
63.2 |
66.1 |
27.8 |
26.9 |
25.0 |
23.8 |
21.1 |
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1 end of adsorption phase, mean values expressed as percentage of applied radioactivity |
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2 end of first desorption phase, mean values expressed as percentage of the initially adsorbed amount Adsorption/desorption constants and correlation coefficients of Test Substance in soil at 20 °C
|
Description of key information
Mean measured Koc (OECD 106) = 214.75 (log Koc = 2.33) , M-427580-01-1
Key value for chemical safety assessment
- Koc at 20 °C:
- 214.75
Additional information
The adsorption/desorption behavior was studied in four soils in the dark in the laboratory at 20 ± 1 °C using the batch equilibrium method according to OECD guidance 106 (M-427580-01-1). The test substance was applied at nominal concentrations of 0.5, 0.15, 0.05, 0.015 and 0.005 mg/L in aqueous 0.01 M CaCl2 solution. The overall mass balances were determined by LSC of the adsorption and desorption supernatants, soil extracts and combustion of the remaining soils. The recovery of the applied radioactivity for all concentrations and soils was in the range of 90.2 to 98.8% (mean: 95.0%). The complete material balances found for all soils and concentrations demonstrated that there was no significant loss of radioactivity dissipated from the test systems or during sample processing.
The calculated adsorption constants KF(ads) of the Freundlich isotherms for the four test soils ranged from 3.798 mL/g to 10.222 mL/g (mean: 6.527 mL/g). The Freundlich exponents 1/n were in the range of 0.8970 to 0.9125 (mean: 0.9041), indicating that the concentration of the test item affected the adsorption behavior in the examined concentration range. The corresponding, calculated KF, OC(ads) values varied between 195.3 and 252.3 mL/g (mean: 214.8 mL/g).
The desorption KF(des) and the normalized Koc(des) values were significantly higher (about two times higher) than those obtained for the adsorption phase, indicating that the test item once adsorbed to soil is not readily desorbed.
[LogKoc: 2.33]
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