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EC number: 606-744-8 | CAS number: 213464-77-8
- 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:
- 2000
- 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)
- GLP compliance:
- yes
- Type of method:
- batch equilibrium method
- Media:
- soil
- Specific details on test material used for the study:
- Test material:
[14C-U-phenyl]IR5878 Lot 182
Specific radioactivity: 342008 dpm/µg
154.06 µCi/mg
5.70 MBq/mg
Radiochemical purity: > 97 % (by TLC) - Radiolabelling:
- yes
- Test temperature:
- 20C
- Details on sampling:
- In the Preliminary test each soil sample was incubated at the test substance concentration of 5.014 g/mL for 10 and 30 min, and 1, 2, 4, 8, 16 hours.
The Advanced test was carried out with four test substance concentrations for each soil sample: 5.112 g/mL, 1.066 g/mL, 0.207 g/mL and 0.046 g/mL. For each soil and each concentration, duplicate samples were prepared. - Matrix no.:
- #1
- Matrix type:
- sandy loam
- % Clay:
- ca. 5.7
- % Silt:
- ca. 32.3
- % Sand:
- ca. 62
- % Org. carbon:
- ca. 1.33
- pH:
- ca. 6.29
- CEC:
- ca. 7.65 meq/100 g soil d.w.
- Matrix no.:
- #2
- Matrix type:
- silt loam
- % Clay:
- ca. 17.3
- % Silt:
- ca. 54.4
- % Sand:
- ca. 28.3
- % Org. carbon:
- ca. 2.03
- pH:
- ca. 5.71
- CEC:
- ca. 12.17 meq/100 g soil d.w.
- Matrix no.:
- #3
- Matrix type:
- silt loam
- % Clay:
- ca. 8.7
- % Silt:
- ca. 54.3
- % Sand:
- ca. 37
- % Org. carbon:
- ca. 1
- pH:
- ca. 6.78
- CEC:
- ca. 10.7 meq/100 g soil d.w.
- Matrix no.:
- #4
- Matrix type:
- clay loam
- % Clay:
- ca. 29
- % Silt:
- ca. 46.7
- % Sand:
- ca. 24.3
- % Org. carbon:
- ca. 2.3
- pH:
- ca. 7.98
- CEC:
- ca. 20.06 meq/100 g soil d.w.
- Details on matrix:
- Method:
The adsorption-desorption of 14C-IR5878 was determined on four different fully characterised soils, according to OECD guideline 106. Tested soils were sandy loam (B-1), silt loam (G-2), silt loam (M-2) and clay loam (VM-1). The characteristics are summarised in Table 7.4-1.
Table 7.4-1 Characteristics of soils
B-1 G-2 M-2 VM-1
Particle size distribution 50-2000 µm (sand) 62.0 28.3 37.0 24.3
2-50 µm (silt) 32.3 54.4 54.3 46.7
< 2 µm (clay) 5.7 17.3 8.7 29.0
USDA classification sandy loam silt loam silt loam clay loam
pH (0.01 M CaCl2) 6.29 5.71 6.78 7.98
Organic carbon (%) 1.33 2.03 1.00 2.30
Cation Exchange capacity (meq / 100 g) 7.65 12.17 10.70 20.06 - Details on test conditions:
- The study was divided into two parts, according to SETAC and OECD Guidelines, both performed at 20°C: a Preliminary test, to assess the equilibrium time for the adsorption and to check the stability of IR5878 during the adsorption step, and an Advanced test, to obtain adsorption isotherms to be compared with the Freundlich equation.
1-g aliquots of air dried soil samples were re-equilibrated in 0.01 M CaCl2 aqueous solution by stirring the soil suspension for 24 hours at 20°C.
In the Preliminary test each soil sample was incubated at the test substance concentration of 5.014 g/mL for 10 and 30 min, and 1, 2, 4, 8, 16 hours.
The Advanced test was carried out with four test substance concentrations for each soil sample: 5.112 g/mL, 1.066 g/mL, 0.207 g/mL and 0.046 g/mL. For each soil and each concentration, duplicate samples were prepared.
Radioactivity was determined by LSC. Extracts were analysed by TLC and the distribution of radiolabelled compounds quantitated by a Bio-Imaging Analyser. - Sample No.:
- #1
- Duration:
- 2 h
- Initial conc. measured:
- ca. 5.014 other: ug/mL
- Temp.:
- ca. 20 °C
- Sample No.:
- #2
- Duration:
- 2 h
- Initial conc. measured:
- ca. 5.014 other: ug/mL
- Temp.:
- ca. 20 °C
- Sample No.:
- #3
- Duration:
- 2 h
- Initial conc. measured:
- ca. 5.014 other: ug/mL
- Temp.:
- ca. 20 °C
- Sample No.:
- #4
- Duration:
- 2 h
- Initial conc. measured:
- ca. 5.014 other: ug/mL
- Temp.:
- ca. 20 °C
- Computational methods:
- The data of adsorption isotherms fitted very well (r2 > 0.97) with Freundlich equation.
- Key result
- Sample No.:
- #1
- Type:
- Koc
- Value:
- ca. 283 other: mL/g
- Temp.:
- 20 °C
- Matrix:
- Sandy loam
- % Org. carbon:
- ca. 1.33
- Key result
- Sample No.:
- #2
- Type:
- Koc
- Value:
- ca. 328 other: mL/g
- Temp.:
- 20 °C
- Matrix:
- Silt loam
- % Org. carbon:
- ca. 2.03
- Key result
- Sample No.:
- #3
- Type:
- Koc
- Value:
- ca. 550 other: mL/g
- Temp.:
- 20 °C
- Matrix:
- Silt loam
- % Org. carbon:
- ca. 1
- Key result
- Sample No.:
- #4
- Type:
- Koc
- Value:
- ca. 249 other: other
- Temp.:
- 20 °C
- Matrix:
- Clay loam
- % Org. carbon:
- ca. 2.3
- Sample No.:
- #1
- Phase system:
- solids-water in soil
- Type:
- other: Kd
- Value:
- > 2.337 - < 10.457 other: mL/g
- Sample No.:
- #2
- Phase system:
- solids-water in soil
- Type:
- other: Kd
- Value:
- > 5.458 - < 11 other: mL/g
- Sample No.:
- #3
- Phase system:
- solids-water in soil
- Type:
- other: Kd
- Value:
- > 4.941 - < 7.393 other: mL/g
- Sample No.:
- #4
- Phase system:
- solids-water in soil
- Type:
- other: Kd
- Value:
- > 5.497 - < 6.978 other: mL/g
- Adsorption and desorption constants:
- Preliminary test showed that:
- the time necessary to reach adsorption equilibrium was 2 hours for all the tested soils;
- four cycles of desorption were necessary to find negligible amounts to be released;
- IR5878 was substantially stable during the adsorption step. - Recovery of test material:
- Advanced test: based on the results of the Preliminary test, the incubation time was 2 hours for all the tested soils. The amount of adsorbed IR5878 was 43.35%, 54.09%, 46.63% and 46.51% as percentage mean value respectively in B-1, G-2, M-2 and VM-1 soil. At the end of the desorption cycles, the amount of desorbed IR5878 was 50.35%, 51.20%, 39.21% and 73.70% as percentage mean value respectively in B-1, G-2, M-2 and VM-1 soil.
- Transformation products:
- not specified
- Details on results (Batch equilibrium method):
- 1-g aliquots of air dried soil samples were re-equilibrated in 0.01 M CaCl2 aqueous solution by stirring the soil suspension for 24 hours at 20°C.
In the Preliminary test each soil sample was incubated at the test substance concentration of 5.014 g/mL for 10 and 30 min, and 1, 2, 4, 8, 16 hours.
The Advanced test was carried out with four test substance concentrations for each soil sample: 5.112 g/mL, 1.066 g/mL, 0.207 g/mL and 0.046 g/mL. For each soil and each concentration, duplicate samples were prepared.
Radioactivity was determined by LSC. Extracts were analysed by TLC and the distribution of radiolabelled compounds quantitated by a Bio-Imaging Analyser.
Findings
Preliminary test showed that:
- the time necessary to reach adsorption equilibrium was 2 hours for all the tested soils;
- four cycles of desorption were necessary to find negligible amounts to be released;
- IR5878 was substantially stable during the adsorption step.
Advanced test: based on the results of the Preliminary test, the incubation time was 2 hours for all the tested soils. The amount of adsorbed IR5878 was 43.35%, 54.09%, 46.63% and 46.51% as percentage mean value respectively in B-1, G-2, M-2 and VM-1 soil. At the end of the desorption cycles, the amount of desorbed IR5878 was 50.35%, 51.20%, 39.21% and 73.70% as percentage mean value respectively in B-1, G-2, M-2 and VM-1 soil.
The data of adsorption isotherms fitted very well (r2 > 0.97) with Freundlich equation. The results of the Advanced test are summarised in Table 7.4-3. - Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption-desorption study with 14C-IR5878 was carried out in four different soils.
The calculated Koc were 283, 328, 550 and 249, for sandy loam, silt loam, silt loam and clay loam soils, respectively. - Executive summary:
Preliminary test showed that:
- the time necessary to reach adsorption equilibrium was 2 hours for all the tested soils;
- four cycles of desorption were necessary to find negligible amounts to be released;
- IR5878 was substantially stable during the adsorption step.
Advanced test: based on the results of the Preliminary test, the incubation time was 2 hours for all the tested soils. The amount of adsorbed IR5878 was 43.35%, 54.09%, 46.63% and 46.51% as percentage mean value respectively in B-1, G-2, M-2 and VM-1 soil. At the end of the desorption cycles, the amount of desorbed IR5878 was 50.35%, 51.20%, 39.21% and 73.70% as percentage mean value respectively in B-1, G-2, M-2 and VM-1 soil.
The data of adsorption isotherms fitted very well (r2> 0.97) with Freundlich equation. Mass balance was ≥ 93%.
The adsorption-desorption study with14C-IR5878 was carried out in four different soils.The calculated Kocwere 283, 328, 550 and 249, for sandy loam, silt loam, silt loam and clay loam soils, respectively
Reference
Table 7.4-1 Characteristics of soils
|
|
B-1 |
G-2 |
M-2 |
VM-1 |
Particle size distribution |
50-2000 µm (sand) |
62.0 |
28.3 |
37.0 |
24.3 |
2-50 µm (silt) |
32.3 |
54.4 |
54.3 |
46.7 |
|
< 2 µm (clay) |
5.7 |
17.3 |
8.7 |
29.0 |
|
USDA classification |
sandy loam |
silt loam |
silt loam |
clay loam |
|
pH (CaCl2) |
6.29 |
5.71 |
6.78 |
7.98 |
|
Organic carbon (%) |
1.33 |
2.03 |
1.00 |
2.30 |
|
Cation Exchange capacity (meq /) |
7.65 |
12.17 |
10.70 |
20.06 |
Table 7.4-2 Adsorbed and desorbed IR5878
Soil |
Characteristics |
Adsorbed IR5878 (% mean value) |
Desorbed IR5878 (% mean value) |
B-1 |
sandy loam |
43.35 |
50.35 |
G-2 |
silt loam |
54.09 |
51.20 |
M-2 |
silt loam |
46.63 |
39.21 |
VM-1 |
clay loam |
46.51 |
73.70 |
Table 7.4-3 Partition coefficient Kd and Freundlich parameters of adsorption isotherms
Soil |
Characteristics |
Kd (mean value) (mL/g) |
1/N |
K’ (or Kf) (mL/g) |
Organic carbon (%) |
K’oc(mL/g) |
B-1 |
sandy loam |
6.003 |
0.749 |
3.763 |
1.33 |
283 |
G-2 |
silt loam |
8.568 |
0.861 |
6.662 |
2.03 |
328 |
M-2 |
silt loam |
6.251 |
0.920 |
5.499 |
1.00 |
550 |
VM-1 |
clay loam |
6.105 |
0.956 |
5.725 |
2.30 |
249 |
Description of key information
Preliminary test showed that:
- the time necessary to reach adsorption equilibrium was 2 hours for all the tested soils;
- four cycles of desorption were necessary to find negligible amounts to be released;
- IR5878 was substantially stable during the adsorption step.
Advanced test: based on the results of the Preliminary test, the incubation time was 2 hours for all the tested soils. The amount of adsorbed IR5878 was 43.35%, 54.09%, 46.63% and 46.51% as percentage mean value respectively in B-1, G-2, M-2 and VM-1 soil. At the end of the desorption cycles, the amount of desorbed IR5878 was 50.35%, 51.20%, 39.21% and 73.70% as percentage mean value respectively in B-1, G-2, M-2 and VM-1 soil.
The data of adsorption isotherms fitted very well (r2> 0.97) with Freundlich equation. Mass balance was ≥ 93%.
The adsorption-desorption study with14C-IR5878 was carried out in four different soils.The calculated Kocwere 283, 328, 550 and 249, for sandy loam, silt loam, silt loam and clay loam soils, respectively
Key value for chemical safety assessment
- Koc at 20 °C:
- 353
Additional information
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