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EC number: 201-579-4 | CAS number: 85-00-7
- 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
- Remarks:
- Batch equilibrium method
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 21 Jan 2010 to 29 Jul 2010
- 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)
- Version / remarks:
- January 2000
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EPA Guideline Series OPPTS 835.1230 (Adsorption/Desorption Batch Equilibrium),
- Version / remarks:
- October 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- batch equilibrium method
- Media:
- soil
- Radiolabelling:
- yes
- Test temperature:
- 20 ± 2 °C
- Analytical monitoring:
- yes
- Details on sampling:
- PRELIMINARY TESTS
- Adsorption equilibrium time and desorption equilibrium time for all four soils: Over a 48h period
DEFINITIVE TEST
- Adsorption equilibrium time: 24 h
- Desorption equilibrium time: 24 h - Matrix no.:
- #1
- Matrix type:
- loam
- % Clay:
- 12
- % Silt:
- 43
- % Sand:
- 45
- % Org. carbon:
- 2.1
- pH:
- 8
- CEC:
- 10.84 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 1.5
- Matrix no.:
- #2
- Matrix type:
- sandy clay loam
- % Clay:
- 25
- % Silt:
- 24
- % Sand:
- 51
- % Org. carbon:
- 2.5
- pH:
- 6.9
- CEC:
- 18.94 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 1.5
- Matrix no.:
- #3
- Matrix type:
- silty clay
- % Clay:
- 39
- % Silt:
- 56
- % Sand:
- 6
- % Org. carbon:
- 0.9
- pH:
- 8.6
- CEC:
- 12.24 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 1.5
- Matrix no.:
- #4
- Matrix type:
- sandy loam
- % Clay:
- 19
- % Silt:
- 11
- % Sand:
- 70
- % Org. carbon:
- 2.85
- pH:
- 8.05
- CEC:
- 18.55 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 1.5
- Details on matrix:
- TEST SYSTEM
- The four soils used were obtained and supplied by the Sponsor. The soil characteristics are summarised in Table 1 in 'Any other information on materials and methods incl. tables'. The soils were thoroughly mixed and passed through a 2 mm sieve. Prior to use the soils were air-dried and stored in the dark, at room temperature, in loosely tied plastic bags.
SOIL PREPARATION
- Prior to dispensing, the moisture contents of the stored soils were determined at Covance by drying a portion at ca 105 °C. The wet : dry weight ratio was calculated and this allowed the dry weight equivalent of the dispensed soil to be calculated from the wet weight. Dry soil weight = wet soil weight / (wet : dry ratio) All calculations were based upon soil dry weight. - Details on test conditions:
- PRELIMINARY TESTS
In the preliminary investigations, experiments were conducted to determine the conditions to be used in the definitive test. A test was performed to determine whether the test substance was soluble at 5 and at 50 µg/mL in 0.01M calcium chloride solution (equivalent cation concentrations are 2.7 and 26.8 µg/mL, respectively). A test was performed to determine whether the test substance adsorbed to vessels from a 0.05 µg/mL test substance solution (equivalent cation concentration is 0.03 µg/mL). The determination of the optimum soil : aqueous ratio for use in the definitive test was conducted using all four soils at a test substance concentration of 0.5 µg/mL (equivalent cation concentration of 0.3 µg/mL). The adsorption equilibrium time and desorption equilibrium time for all four soils were determined over a 48 hours period using a test substance concentration equivalent to 0.5 µg/mL (equivalent cation concentration of 0.3 µg/mL). Stability of the test item during the adsorption time determination was assessed at the 48-hour time point.
DEFINITIVE TEST
Adsorption isotherms were determined on all four soils, at a ratio of 1:100 (soil : solution w/v), over five concentrations of the test substance (0.05, 0.2, 0.5, 2 and 5 µg/mL) (equivalent cation concentrations of 0.03, 0.11, 0.3, 1.1, and 2.7 µg/mL, respectively). All samples were shaken for 24 hours (the adsorption equilibrium time) then centrifuged for 44 minutes at 4750 rpm (ca 4100 g). Weighed aliquots were taken for LSC analysis before removing as much of the adsorption supernatant as possible from each unit into a pre-weighed vessel. The pH value of each adsorption supernatant was determined and are presented in Table 2 in ‘Any other information on materials and methods incl. tables’. The weight of adsorption supernatant removed was replaced by an equal weight of fresh 0.01M calcium chloride solution. Each test vessel was shaken vigorously to break up the soil packed at the bottom of the vessel and to re-mix it with the solution. The samples were, again, shaken for 24 hours (the desorption equilibrium time), centrifuged for 44 minutes at 4750 rpm (ca 4100 g) and radioactivity in the desorption supernatants was determined by LSC.
RADIOCHEMICAL PURITY
The radiochemical purity of the radiolabelled test substance treatment solutions was determined by high performance liquid chromatography (HPLC).
PREPARATION OF CALCIUM CHLORIDE SOLUTION
Several batches of 0.01M calcium chloride solution were used throughout the period of the study. Calcium chloride solution (0.01M) was prepared by dissolving ca 1.47 g calcium chloride dihydrate in 1000 mL water (or ca 7.35 g calcium chloride dehydrate in 5000 mL water).
PREPARATION OF SOIL SLURRIES PRIOR TO TREATMENT
Duplicate units were prepared by dispensing ca 1 g (dry weight equivalent, accurately weighed) of each soil into pre-weighed centrifuge tubes. Dispensed soils were then pre-equilibrated by shaking with 0.01M calcium chloride solution (90 mL) overnight before the day of the experiment.
PREPARATION OF TREATMENT SOLUTIONS
Application solutions of radiolabelled test substance in calcium chloride solution (named stock solutions 3 to 12) were prepared, when required, from the stock solutions. Aliquots of the stock solution were transferred to pre-weighed fresh glass vessels and the solvent evaporated under a stream of nitrogen. A volume of 0.01M calcium chloride was added to achieve the required nominal concentration and the resulting solution was sonicated to ensure mixing. The radiochemical purity of the test item in the application solutions prepared for the definitive test was checked by HPLC. The preparation details of each application solution used are described in each test.
TREATMENT OF SLURRIES
Stock solutions of the radiolabelled test substance in 0.01M calcium chloride with nominal concentrations of 0.5, 2, 5, 20 and 50 µg/mL were prepared for the isotherm test (equivalent cation concentrations of 0.3, 1.1, 2.7, 11, and 27 µg/mL, respectively). The appropriate stock solutions (10 mL) were pipetted into the equilibrated units to achieve final nominal concentrations of 0.05, 0.2, 0.5, 2 and 5 µg/mL test substance equivalent to cation concentrations of 0.03, 0.11, 0.3, 1.1, and 2.7 µg/mL, respectively.
ANALYSIS
AQUEOUS PHASE
Supernatants were radio assayed with LSC. For stability determination, the test item was quantified in selected adsorption and desorption supernatants via reversed phase HPLC with radio-detection. The samples analysed were: One replicate from each concentration of the North Dakota soil. The North Dakota soil was the soil with the highest Kd value. One replicate of the samples of the other three soils at the highest concentration only.
STABILITY OF THE TEST SUBSTANCE DURING THE ISOTHERM TEST
Residual radioactivity in the soil from the same representative samples (after the removal of the desorption supernatant) was extracted and analysed by HPLC. All soil samples were extracted by refluxing twice with 6M sulphuric acid (60 mL) for 5 hours, followed by shaking with acetone (10 mL) to aid drying of the residue. Duplicate aliquots were removed from the extracts for analysis by LSC. Adsorption supernatants, desorption supernatants and soil extracts were analysed by HPLC, where appropriate.
MASS BALANCE
Mass balance was determined on each soil at the highest concentration and at all concentrations for North Dakota soil. The samples used were those that had been used for the stability test. Extracted soils were combusted to determine radioactivity remaining in soil.
EXPRESSION OF RESULTS
All values in tables have been computer generated and data values displayed are rounded values of those held in memory. As a result of this, calculation of mean and total values from individual data presented in the report will, in some instances, yield a minor variation to the value shown. Data was derived and calculations made using the cation. Whenever results are available from more than one replicate at a timepoint, values quoted in the text of the report are rounded mean values, unless otherwise stated and percent values are expressed as a percent of applied radioactivity. Volumes taken for LSC referred to in the methods section are approximate volumes only. The aliquots were, however, weighed and the weight of the total sample was determined. Centrifugation speeds (rpm) and forces (g) are approximate values. - Duration:
- 24 h
- Initial conc. measured:
- >= 0.5 - <= 50 other: µg/mL
- Temp.:
- 20 °C
- Remarks:
- for all soils
- Duration:
- 24 h
- Temp.:
- 20 °C
- Remarks:
- for all soils
- Key result
- Sample No.:
- #1
- Type:
- Koc
- Remarks:
- Freundlich Coefficients
- Value:
- 6 857 L/kg
- pH:
- 8
- Temp.:
- 20 °C
- Matrix:
- Loam
- % Org. carbon:
- 2.1
- Key result
- Sample No.:
- #2
- Type:
- Koc
- Remarks:
- Freundlich Coefficients
- Value:
- 360 446 L/kg
- pH:
- 6.9
- Temp.:
- 20 °C
- Matrix:
- Sandy clay loam
- % Org. carbon:
- 2.5
- Key result
- Sample No.:
- #3
- Type:
- Koc
- Remarks:
- Freundlich Coefficients
- Value:
- 1 436 850 L/kg
- pH:
- 8.6
- Temp.:
- 20 °C
- Matrix:
- Silty clay
- % Org. carbon:
- 0.9
- Key result
- Sample No.:
- #4
- Type:
- Koc
- Remarks:
- Freundlich Coefficients
- Value:
- 2 511 015 L/kg
- pH:
- 8
- Temp.:
- 20 °C
- Matrix:
- Sandy loam
- % Org. carbon:
- 2.8
- Sample No.:
- #1
- Phase system:
- solids-water in soil
- Type:
- other: Koc - Desorption Freundlich Coefficients
- Value:
- 7 343 L/kg
- Temp.:
- 20 °C
- pH:
- 8
- Matrix:
- Loam
- % Org. carbon:
- 2.1
- Sample No.:
- #2
- Phase system:
- solids-water in soil
- Type:
- other: Koc - Desorption Freundlich Coefficients
- Value:
- 766 809 L/kg
- Temp.:
- 20 °C
- pH:
- 6.9
- Matrix:
- Sandy clay loam
- % Org. carbon:
- 2.5
- Sample No.:
- #3
- Phase system:
- solids-water in soil
- Type:
- other: Koc - Desorption Freundlich Coefficients
- Value:
- 8 482 799 L/kg
- Temp.:
- 20 °C
- pH:
- 8.6
- Matrix:
- Silty clay
- % Org. carbon:
- 0.9
- Sample No.:
- #4
- Phase system:
- solids-water in soil
- Type:
- other: Koc - Desorption Freundlich Coefficients
- Value:
- 2 732 954 L/kg
- Temp.:
- 20 °C
- pH:
- 8
- Matrix:
- Sandy loam
- % Org. carbon:
- 2.8
- Details on results (HPLC method):
- Not applicable
- Adsorption and desorption constants:
- Mean values for adsorption partition coefficients (Kd) per soil were in the range 869 to 44605 L/kg and (KOC) values were in the range 41404 to 2380784 L/kg. Freundlich adsorption coefficients (KfOC) were in the range 6857 to 2511015 L/kg. Mean values for desorption partition coefficients (Kd) per soil were in the range 1410 to 81326 L/kg and (KOC) values were in the range 67121 to 5109808 L/kg. Freundlich desorption coefficients (KfOC) were in the range 7343 to 8482799 L/kg. Adsorption and desorption Kd values are summarised in Tables 8 and 9 in ‘Any other information on results incl. tables’, respectively.
- Recovery of test material:
- A summary of the radioactivity recovered following a 24 hour adsorption phase and a 24 hour desorption phase is shown in Table 2 in ‘Any other information on results incl. tables’. Extracts of soil and supernatant were analysed by HPLC and the recovery of applied radioactivity as [14C]-substance in all samples was ≥ 94% (Table 3 in ‘Any other information on results incl. tables’).
- Concentration of test substance at end of adsorption equilibration period:
- See Table 4 in 'Any other information on results incl. tables'.
- Concentration of test substance at end of desorption equilibration period:
- See Table 4 in 'Any other information on results incl. tables'.
- Sample no.:
- #1
- Duration:
- 24 h
- % Adsorption:
- 40.1
- Remarks on result:
- other: Recovery of radioactivity at the adsorption supernatant
- Sample no.:
- #2
- Duration:
- 24 h
- % Adsorption:
- 0.7
- Remarks on result:
- other: Recovery of radioactivity at the adsorption supernatant
- Sample no.:
- #3
- Duration:
- 24 h
- % Adsorption:
- 0.4
- Remarks on result:
- other: Recovery of radioactivity at the adsorption supernatant
- Sample no.:
- #4
- Duration:
- 24 h
- % Adsorption:
- 0.225
- Remarks on result:
- other: Mean recovery of radioactivity at the adsorption supernatant
- Sample no.:
- #1
- Duration:
- 24 h
- % Desorption:
- 17.9
- Remarks on result:
- other: Recovery of radioactivity at the desorption supernatant
- Sample no.:
- #2
- Duration:
- 24 h
- % Desorption:
- 0.4
- Remarks on result:
- other: Recovery of radioactivity at the desorption supernatant
- Sample no.:
- #3
- Duration:
- 24 h
- % Desorption:
- 0.2
- Remarks on result:
- other: Recovery of radioactivity at the desorption supernatant
- Sample no.:
- #4
- Duration:
- 24 h
- % Desorption:
- 0.1
- Remarks on result:
- other: Mean recovery of radioactivity at the desorption supernatant
- Transformation products:
- no
- Details on results (Batch equilibrium method):
- SOIL CHARACTERISATION
A summary of characteristics is presented in Table 1 in ‘Any other information on materials and methods incl. tables‘.
RADIOCHEMICAL PURITY
he radiochemical purity of the radiolabelled test substance treatment solutions (adsorption equilibrium time test and main isotherms test), was determined by high performance liquid chromatography (HPLC). The radiochemical purity was found to be > 95%.
PRELIMINARY TESTS
Preliminary investigations were conducted to determine the conditions to be used in the definitive study. A summary of these tests is presented in Table 1 in ‘Any other information on results incl. tables‘.
DEFINITIVE TEST
TREATMENT RATES
Five application solutions were prepared and diluted with calcium chloride such that the application to the units was determined to be: 0.05, 0.21, 0.50, 2.04 and 4.57 µg/mL test substance (0.03, 0.11, 0.27, 1.09 and 2.45 µg/mL of cation).
ISOTHERMS
The soil to aqueous phase ratio of 1:100 w/v, 24 hour adsorption equilibrium period and 24 hour desorption equilibrium period were based upon the results of the preliminary tests. A summary of test conditions is presented in section 3.6.1.2. Measurements of pH made on the adsorption supernatants are presented in Table 2 in ‘Any other information on materials and methods incl. tables‘. Concentrations of [14C]-cation in the adsorption supernatants and adsorbed to the soil are shown in Tables 4 to 7 in ‘Any other information on results incl. tables ‘. The proportions of [14C]-cation that were adsorbed and desorbed are also shown in these tables. Mean values for adsorption partition coefficients (Kd) per soil were in the range 869 to 44605 L/kg and (KOC) values were in the range 41404 to 2380784 L/kg. Freundlich adsorption coefficients (KFOC) were in the range 6857 to 2511015 L/kg. Mean values for desorption partition coefficients (Kd) per soil were in the range 1410 to 81326 L/kg and (KOC) values were in the range 67121 to 5109808 L/kg. Freundlich desorption coefficients (KFOC) were in the range 7343 to 8482799 L/kg. Adsorption and desorption Kd values are summarised in Tables 8 and 9 in ‘Any other information on results incl. tables‘, respectively. - Validity criteria fulfilled:
- not specified
- Conclusions:
- The adsorption/desorption properties of the radiolabelled test substance were studied in Swiss Gartenacker soil, British 18 Acres soil, French Marsillargues soil and US American North Dakota soil. Mean values for adsorption partition coefficients (Kd) per soil were in the range 869 to 44605 L/kg and (KOC) values were in the range 41404 to 2380784 L/kg. Freundlich adsorption coefficients (KFOC) were in the range 6857 to 2511015 L/kg. Mean values for desorption partition coefficients (Kd) per soil were in the range 1410 to 81326 L/kg and (KOC) values were in the range 67121 to 5109808 L/kg. Freundlich desorption coefficients (KFOC) were in the range 7343 to 8482799 L/kg. Using the McCall Classification scale to assess the potential mobility of a chemical in soil (based on KFOC), the test substance can be classified as being “immobile” in the four soils studied.
- Executive summary:
The adsorption/desorption characteristics of the radiolabelled test substance cation were studied under GLP using a standard batch equilibrium methodaccording to OECD TG 106 using Swiss Gartenacker soil (loam), British 18 Acres soil (sandy clay loam), French Marsillargues soil (silty clay) and US American North Dakota soil (sandy loam).
The definitive adsorption and desorption assessments were conducted in the dark at 20 ± 2°C. Soil samples (1 g dry weight equivalent) were pre-equilibrated with 0.01M calcium chloride solution (90 mL) overnightand then treated with solutions of radiolabelled test substance (10 mL) to produce duplicate samples per soil. Concentrations of the test substance in the aqueous phase were initially 0.05, 0.2, 0.5, 2 and 5 µg/mL (equivalent cation concentrations were 0.03, 0.11, 0.3, 1.1, and 2.7 µg/mL, respectively). The adsorption phase was followed by a single desorption phase to determine the reversibility of adsorption. The recovery of radioactivity was established in all four soils using the highest test concentration only.
North Dakota soil only was selected to determine the recovery of radioactivity at all remaining concentrations. This recovery was established by radioassay of the adsorption supernatants, desorption supernatants and soil extracts and by combustion of the soil residues to determine the mass balance. Stability was verified by HPLC analyses of selected pooled adsorption and desorption supernatants and soil extracts. The soil adsorption coefficients Kd and Koc, together with the Freundlich adsorption constants Kf and Kfoc, were determined for each soil based on the cation. One replicate sample at each concentration from the North Dakota soil (the soil with the highest Kd) and one replicate sample from the remaining soils (the highest concentration only) were analysed for the stability test and mass balance.
No significant degradation was observed in supernatants or soil extracts with overall recoveries of applied radioactivity in the selected samples being in the range 96.2 to 100.9%. Mean values for adsorption partition coefficients (Kd) per soil were in the range 869 to 44605 L/kg and (Koc) values were in the range 41404 to 2380784 L/kg. Freundlich adsorption coefficients (Kfoc) were in the range 6857 to 2511015 L/kg. These data were derived using cation concentrations. Mean values for desorption partition coefficients (Kd) per soil were in the range 1410 to 81326 L/kg and (Koc) values were in the range 67121 to 5109808 L/kg. The calculated Freundlich desorption coefficients (Kfoc) were in the range 7343 to 8482799 L/kg. The desorption constants of the test substance were higher than the adsorption constants thus demonstrating that adsorption was not fully reversible. Using the McCall Classification scale to assess the potential mobility of a chemical in soil (based on Kfoc) the test substance can be classified as being “immobile” in the four soils studied.
Reference
Table 1. Preliminary studies results
Solubility test Solubility at 5 and 50 µg/mL (2.7 and 27 µg/mL ion) in 0.01M CaCl2 solution Adsorption to containers test (0.5 µg/mL (0.3 µg/mL cation) in 0.01M CaCl2 solution). |
The compound was soluble at both concentrations tested. The compound adsorbed to Telfon® vessels but did not adsorb to polypropylene or Nalgene® vessels. Therefore Nalgene® tubes were selcted for the definitive test. |
Ratio of soil to aqueous test at 0.5 µg/mL test item concentration 1:10 ratio 1g soil : 10 mL 0.01M CaCl2 solution 1:50 ratio 1g soil : 50 mL 0.01M CaCl2 solution 1:100 ratio 1g soil : 100 mL 0.01M CaCl2 solution. |
The test item adsorbed very strongly (> 80%) to the soil at all ratios tested. A ratio of 1:100 w/v was selected for use in the definitive test. |
Time to adsorption equilibrium Tested using 1:100 w/v soil ratio at 0.5 µg/mL (0.3 µg/mL cation) test item concentration in the aqueous phase incubated for 0.5, 2, 4, 6, 24 and 48 hours. |
Adsorption equilibrium was reached within 24 hours for all soils. Therefore, this was selected as the adsorption equilibrium time in the definitive test. |
Time to desorption equilibrium Tested using 1:100 w/v soil ratio at 0.5 µg/mL (0.3 µg/mL ion) test item concentration in the aqueous phase incubated for 0.5, 2, 4, 6, 24 and 48 hours. |
Desorption equilibrium was reached within 24 hours for all soils. Therefore, this was selected as the desorption equilibrium time in the definitive test. |
Stability during equilibrium time determination One replicate per soil after 48 hours equilibrium in the time to adsorption equilibrium test. |
Recovery of applied radioactivity as [14C]-substance was in the range 93 to 96% |
Table 2. Recovery of Radioactivity Following a 24 Hour Adsorption Phase and a 24 Hour Desorption Phase
Soil |
Concentration of cation (µg/mL) |
Recovery of radioactivity (%) |
Total recovery (%) |
||||
Adsorption supernatant |
Desorption supernatant |
Soil extract (sulphuric acid) |
Soil extract (Acetone) |
Unextracted from soil |
|||
Gartenacker |
2.7 |
40.1 |
17.9 |
40.6 |
0.1 |
0.1 |
98.8 |
18 Acres |
2.7 |
0.7 |
0.4 |
97.2 |
0.2 |
0.0 |
98.5 |
Marsillargues |
2.7 |
0.4 |
0.2 |
95.2 |
0.3 |
0.1 |
96.2 |
North Dakota |
2.7 |
0.2 |
0.1 |
98.5 |
0.4 |
0.1 |
99.3 |
North Dakota |
1.1 |
0.3 |
0.1 |
99.9 |
0.3 |
0.3 |
100.9 |
North Dakota |
0.3 |
0.2 |
0.1 |
97.6 |
0.4 |
0.4 |
98.7 |
North Dakota |
0.11 |
0.2 |
ND |
97.2 |
0.8 |
0.3 |
98.5 |
North Dakota |
0.03 |
ND |
ND |
100.0 |
0.4 |
0.5 |
100.9 |
ND = Not Detected or < 0.1%
Table 3. Purity of [14C]-substance in the isotherm supernatants and soil extracts
Soil |
Concentration of catiion (µg/mL) |
% Recovery of radioactivity present as substance |
% Total radioactivity as extractable substance |
||
Adsorption supernatant 1 |
Desorption supernatant 1 |
Soil extract 1 |
|||
Gartenacker |
2.7 |
40.0 |
17.8 |
40.5 |
98.2 |
18 Acres |
2.7 |
NA |
NA |
96.8 |
96.8 |
Marsillargues |
2.7 |
NA |
NA |
94.5 |
94.5 |
North Dakota |
2.7 |
NA |
NA |
97.8 |
97.8 |
North Dakota |
1.1 |
NA |
NA |
99.0 |
99.0 |
North Dakota |
0.3 |
NA |
NA |
97.2 |
97.2 |
North Dakota |
0.11 |
NA |
NA |
96.2 |
96.2 |
North Dakota |
0.03 |
NA |
NA |
97.4 |
97.4 |
1 Mean value of two injections
NA = Not analysed due to extract < 1% applied radioactivity
Table 4. Concentrations of Substance Ion Equivalents for the Adsorption and Desorption Isotherms for Gartenacker Soil
Nominal dose level as cation (µg/mL) |
Replicate |
Adsorption |
Desorption |
||||
Ce*(µg/mL) |
X/m*(µg/g) |
% adsorbed (a) |
C1*(µg/mL) |
X1/m*(µg/g) |
% desorbed (b) |
||
2.7 |
1 |
0.9920 |
144.4443 |
59.3 |
0.4420 |
101.7971 |
29.5 |
2 |
1.0200 |
144.1727 |
58.9 |
0.4520 |
100.9645 |
30.0 |
|
Mean |
1.0060 |
144.3085 |
59.1 |
0.4470 |
101.3808 |
29.7 |
|
1.1 |
1 |
0.3200 |
76.7272 |
70.8 |
0.1760 |
59.8190 |
22.0 |
2 |
0.3170 |
76.2410 |
71.3 |
0.1780 |
59.3588 |
22.1 |
|
Mean |
0.3185 |
76.4841 |
71.0 |
0.1770 |
59.5889 |
22.1 |
|
0.3 |
1 |
0.0433 |
22.1324 |
84.1 |
0.0268 |
19.6085 |
11.4 |
2 |
0.0428 |
22.1031 |
84.2 |
0.0267 |
19.5762 |
11.4 |
|
Mean |
0.0431 |
22.1177 |
84.2 |
0.0268 |
19.5923 |
11.4 |
|
0.11 |
1 |
0.0115 |
10.0128 |
90.0 |
0.0068 |
9.3744 |
6.4 |
2 |
0.0115 |
10.0799 |
90.0 |
0.0068 |
9.4376 |
6.4 |
|
Mean |
0.0115 |
10.0463 |
90.0 |
0.0068 |
9.4060 |
6.4 |
|
0.03 |
1 |
0.0009 |
2.5975 |
96.6 |
0.0006 |
2.5381 |
2.3 |
2 |
0.0011 |
2.6301 |
96.1 |
0.0006 |
2.5770 |
2.0 |
|
Mean |
0.0010 |
2.6138 |
96.3 |
0.0006 |
2.5576 |
2.2 |
*Expressed as substance ion
(a) % adsorbed as the % of the applied.
(b) as % of the adsorbed
Table 5. Concentrations of Substance Ion Equivalents for the Adsorption and Desorption Isotherms for 18 Acres Soil
Nominal dose level as cation (µg/mL) |
Replicate |
Adsorption |
Desorption |
||||
Ce*(µg/mL) |
X/m*(µg/g) |
% adsorbed (a) |
C1*(µg/mL) |
X1/m*(µg/g) |
% desorbed (b) |
||
2.7 |
1 |
0.0166 |
240.9443 |
99.3 |
0.0096 |
240.0223 |
0.4 |
2 |
0.0160 |
242.0283 |
99.4 |
0.0083 |
241.2322 |
0.3 |
|
Mean |
0.0163 |
241.4863 |
99.3 |
0.0089 |
240.6272 |
0.4 |
|
1.1 |
1 |
0.0081 |
106.1489 |
99.3 |
0.0038 |
105.7972 |
0.3 |
2 |
0.0081 |
108.7527 |
99.3 |
0.0040 |
108.3681 |
0.4 |
|
Mean |
0.0081 |
107.4508 |
99.3 |
0.0039 |
107.0826 |
0.3 |
|
0.3 |
1 |
0.0013 |
26.4813 |
99.5 |
0.0012 |
26.3669 |
0.4 |
2 |
0.0014 |
26.5127 |
99.5 |
0.0005 |
26.4636 |
0.2 |
|
Mean |
0.0014 |
26.4970 |
99.5 |
0.0009 |
26.4152 |
0.3 |
|
0.11 |
1 |
0.0004 |
11.1655 |
99.6 |
0.0002 |
11.1493 |
0.1 |
2 |
0.0005 |
11.1023 |
99.5 |
0.0002 |
11.0857 |
0.2 |
|
Mean |
0.0005 |
11.1339 |
99.6 |
0.0002 |
11.1175 |
0.1 |
|
0.03 |
1 |
0.0001 |
2.7379 |
99.5 |
0.0001 |
2.7262 |
0.4 |
2 |
0.0001 |
2.6923 |
99.6 |
0.0002 |
2.6738 |
0.7 |
|
Mean |
0.0001 |
2.7151 |
99.5 |
0.0002 |
2.7000 |
0.6 |
*Expressed as substance ion
(a) % adsorbed as the % of the applied.
(b) as % of the adsorbed
Table 6. Concentrations of Substance Ion Equivalents for the Adsorption and Desorption Isotherms for Marsillargues Soil
Nominal dose level as cation (µg/mL) |
Replicate |
Adsorption |
Desorption |
||||
Ce*(µg/mL) |
X/m*(µg/g) |
% adsorbed (a) |
C1*(µg/mL) |
X1/m*(µg/g) |
% desorbed (b) |
||
2.7 |
1 |
0.0098 |
240.1286 |
99.6 |
0.0044 |
239.7181 |
0.2 |
2 |
0.0103 |
238.3245 |
99.6 |
0.0045 |
237.9022 |
0.2 |
|
Mean |
0.0101 |
239.2266 |
99.6 |
0.0044 |
238.8102 |
0.2 |
|
1.1 |
1 |
0.0077 |
107.9695 |
99.3 |
0.0028 |
107.7099 |
0.2 |
2 |
0.0080 |
108.2684 |
99.3 |
0.0030 |
107.9867 |
0.3 |
|
Mean |
0.0078 |
108.1190 |
99.3 |
0.0029 |
107.8483 |
0.3 |
|
0.3 |
1 |
0.0013 |
26.4945 |
99.5 |
0.0005 |
26.4459 |
0.2 |
2 |
0.0013 |
26.4137 |
99.5 |
0.0005 |
26.3696 |
0.2 |
|
Mean |
0.0013 |
26.4541 |
99.5 |
0.0005 |
26.4077 |
0.2 |
|
0.11 |
1 |
0.0006 |
11.2210 |
99.5 |
0.0002 |
11.2049 |
0.1 |
2 |
0.0004 |
10.9837 |
99.7 |
0.0002 |
10.9681 |
0.1 |
|
Mean |
0.0005 |
11.1024 |
99.6 |
0.0002 |
11.0865 |
0.1 |
|
0.03 |
1 |
0.0001 |
2.7241 |
99.5 |
0.0001 |
2.7115 |
0.5 |
2 |
0.0001 |
2.7309 |
99.7 |
0.0002 |
2.7158 |
0.6 |
|
Mean |
0.0001 |
2.7275 |
99.6 |
0.0001 |
2.7137 |
0.5 |
*Expressed as substance ion
(a) % adsorbed as the % of the applied.
(b) as % of the adsorbed
Table 7. Concentrations of Substance Ion Equivalents for the Adsorption and Desorption Isotherms for North Dakota Soil
Nominal dose level as cation (µg/mL) |
Replicate |
Adsorption |
Desorption |
||||
Ce*(µg/mL) |
X/m*(µg/g) |
% adsorbed (a) |
C1*(µg/mL) |
X1/m*(µg/g) |
% desorbed (b) |
||
2.7 |
1 |
0.0038 |
237.7585 |
99.8 |
0.0028 |
237.4981 |
0.1 |
2 |
0.0043 |
244.8437 |
99.8 |
0.0050 |
244.3524 |
0.2 |
|
Mean |
0.0041 |
241.3011 |
99.8 |
0.0039 |
240.9252 |
0.2 |
|
1.1 |
1 |
0.0029 |
109.2548 |
99.7 |
0.0013 |
109.1288 |
0.1 |
2 |
0.0029 |
109.1119 |
99.7 |
0.0015 |
108.9682 |
0.1 |
|
Mean |
0.0029 |
109.1834 |
99.7 |
0.0014 |
109.0485 |
0.1 |
|
0.3 |
1 |
0.0006 |
26.6311 |
99.8 |
0.0003 |
26.6093 |
0.1 |
2 |
0.0006 |
26.5011 |
99.8 |
0.0003 |
26.4756 |
0.1 |
|
Mean |
0.0006 |
26.5661 |
99.8 |
0.0003 |
26.5424 |
0.1 |
|
0.11 |
1 |
0.0003 |
11.2213 |
99.8 |
0.0001 |
11.2113 |
0.1 |
2 |
0.0003 |
11.1942 |
99.8 |
0.0000 |
NAc |
NA (c) |
|
Mean |
0.0003 |
11.2077 |
99.8 |
0.0001 |
11.2113 |
0.1 |
|
0.03 |
1 |
0.0001 |
2.7193 |
99.7 |
0.0000 |
2.7155 |
0.1 |
2 |
0.0001 |
2.7306 |
99.8 |
0.0001 |
2.7225 |
0.3 |
|
Mean |
0.0001 |
2.7249 |
99.7 |
0.0001 |
2.7190 |
0.2 |
*Expressed as substance ion
(a) % adsorbed as the % of the applied.
(b) as % of the adsorbed
(c) Sample lost in desorption step, therefore value from one replicate used.
Table 8. Summary of Kd, KOC, KF, KFOC and 1/n Values from the Adsorption Step
Soil |
Nominal rate applied aqueous phase as cation (µg/mL) |
Partition coefficients |
Freundlich coefficients |
|||
Kd |
KOC |
KF |
KFOC |
1/n |
||
Gartenacker |
2.7 |
143.48 |
6832 |
144.00 |
6857 |
0.5867 |
1.1 |
240.14 |
11435 |
||||
0.3 |
513.78 |
24466 |
||||
0.11 |
873.59 |
41600 |
||||
0.03 |
2576.45 |
122688 |
||||
Overall average: |
869.49 |
41404 |
||||
18 Acres |
2.7 |
14820.74 |
592830 |
9011.16 |
360446 |
0.8925 |
1.1 |
13281.92 |
531277 |
||||
0.3 |
19161.19 |
766448 |
||||
0.11 |
23559.35 |
942374 |
||||
0.03 |
21304.48 |
852179 |
||||
Overall average: |
18425.54 |
737022 |
||||
Marsillargues |
2.7 |
23820.61 |
2646735 |
12931.65 |
1436850 |
0.9272 |
1.1 |
13831.35 |
1536817 |
||||
0.3 |
20672.82 |
2296980 |
||||
0.11 |
23757.69 |
2639744 |
||||
0.03 |
25052.82 |
2783646 |
||||
Overall average: |
21427.06 |
2380784 |
||||
North Dakota |
2.7 |
59311.91 |
2118283 |
70308.42 |
2511015 |
1.0649 |
1.1 |
37456.82 |
1337744 |
||||
0.3 |
47697.77 |
1703492 |
||||
0.11 |
41746.70 |
1490954 |
||||
0.03 |
36813.45 |
1314766 |
||||
Overall average: |
44605.33 |
1593048 |
All values are in terms of substance ion
Table 9. Summary of Kd, KOC, KF, KFOC and 1/n Values from the Desorption Step
Soil |
Nominal rate applied aqueous phase as substance ion (µg/mL) |
Partition coefficients |
Freundlich coefficients |
|||
Kd |
KOC |
KF |
KFOC |
1/n |
||
Gartenacker |
2.7 |
226.84 |
10802 |
154.20 |
7343 |
0.5555 |
1.1 |
336.68 |
16032 |
||||
0.3 |
732.43 |
34877 |
||||
0.11 |
1393.48 |
66356 |
||||
0.03 |
4358.30 |
207538 |
||||
Overall average: |
1409.55 |
67121 |
||||
18 Acres |
2.7 |
27046.25 |
1081850 |
19170.24 |
766809 |
0.9315 |
1.1 |
27581.00 |
1103240 |
||||
0.3 |
36520.68 |
1460827 |
||||
0.11 |
64107.36 |
2564294 |
||||
0.03 |
18099.79 |
723991 |
||||
Overall average: |
34671.02 |
1386840 |
||||
Marsillargues |
2.7 |
53916.67 |
5990741 |
76345.19 |
8482799 |
1.0809 |
1.1 |
37310.29 |
4145587 |
||||
0.3 |
54230.98 |
6025665 |
||||
0.11 |
65212.92 |
7245880 |
||||
0.03 |
19270.52 |
2141169 |
||||
Overall average: |
45988.28 |
5109808 |
||||
North Dakota |
2.7 |
67607.75 |
2414562 |
76522.70 |
2732954 |
1.0048 |
1.1 |
78539.12 |
2804969 |
||||
0.3 |
103125.79 |
3683064 |
||||
0.11 |
106774.00 |
3813357 |
||||
0.03 |
50581.71 |
1806490 |
||||
Overall average: |
81325.67 |
2904488 |
All values are in terms of substance ion
Description of key information
Kfoc-ads of 7343 to 8482799 L/kg, batch equilibrium method, OECD TG 106, Dixon 2012
Several other studies have been conducted investigating the adsorption potential of the test substance. These have not been included in the dossier as robust study summaries. However, the geometric mean of all reliable adsorption data is used as key value for chemical safety assessment.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 696 600
Additional information
Table: all reliable adsorption data of the test substance used for the derivation of the key value for chemical safety assessment
Parent |
|
|
|
|
|
|
|
USDA | Name / Origin | OC* | pH | Kd/Kf* | Koc* | 1/n | Author / Year / |
Course Sand | RG1, DK | 2.8 | 5.9 | 5000 | 180000 | - | Ferguson et al., 1994 |
Sand | RG2, DK | 4.9 | 5.8 | 1200 | 32000 | - |
|
Peat | RG3, DK | 31.6 | 5 | 17000 | 54000 | - |
|
Very fine sand | RG4, DK | 1.3 | 6.5 | 8500 | 640000 | - |
|
Loamy fine sand | RG5, DK | 1.7 | 6.7 | 16000 | 920000 | - |
|
Course sand | RG5A, DK | 3.7 | 6.1 | 3500 | 96000 | - |
|
Sand | RG6, DK | 2.4 | 6.3 | 5000 | 210000 | - |
|
Sand | RG7, DK | 2.3 | 6.4 | 4500 | 200000 | - |
|
Fine sandy loam | RG8, DK | 1 | 8 | 42000 | 4200000 | - |
|
Loamy fine sand | RG9, DK | 0.9 | 7.4 | 22000 | 2400000 | - |
|
Loamy fine sand | RG10, DK | 1.3 | 7.3 | 20000 | 1500000 | - |
|
Loamy fine sand | RG11, DK | 1.6 | 5.5 | 7000 | 450000 | - |
|
Loamy fine sand | RG12, DK | 1.5 | 5.5 | 27000 | 1900000 | - |
|
Loamy sand | RG13, DK | 1.4 | 7.1 | 38000 | 2700000 | - |
|
Loamy fine sand | RG14, DK | 1.2 | 5 | 37000 | 3000000 | - |
|
Loamy fine sand | RG15, DK | 1.8 | 5.9 | 31000 | 1700000 | - |
|
Loamy sand | RG16, DK | 1.1 | 6.4 | 43000 | 3900000 | - |
|
Loamy sand | RG17, DK | 2 | 6.1 | 14000 | 690000 | - |
|
Loamy fine sand | RG18, DK | 1.6 | 4.9 | 12000 | 740000 | - |
|
Coarse sand | RG19, DK | 0.8 | 6.2 | 6000 | 740000 | - |
|
Loamy sand | RG20, DK | 0.7 | 6.3 | 25000 | 3600000 | - |
|
Loamy sand | RG21, DK | 1 | 7.3 | 16000 | 1500000 | - |
|
Loamy sand | RG22, DK | 1.2 | 7.1 | 92000 | 7900000 | - |
|
Loamy sand | RG23, DK | 1.5 | 6.6 | 53000 | 3600000 | - |
|
Loamy fine sand | RG24, DK | 1.5 | 6.9 | 14000 | 960000 | - |
|
Fine sandy loam | RG25, DK | 1.1 | 8.2 | 28000 | 2500000 | - |
|
Loamy fine sand | RG26, DK | 1 | 7.2 | 47000 | 4800000 | - |
|
Loamy sand | RG27, DK | 1.2 | 7.1 | 43000 | 3500000 | - |
|
Sandy loam | RG28, DK | 1.4 | 7.1 | 57000 | 4100000 | - |
|
Fine sandy loam | RG29, DK | 1.1 | 7.8 | 49000 | 4400000 | - |
|
Loamy fine sand | RG30, DK | 1.7 | 7.7 | 25000 | 1400000 | - |
|
Sandy loam | RG30A, DK | 1.1 | 7.9 | 60000 | 5400000 | - |
|
Sand | Ocoee, Florida, USA | 1.8 | 7.2 | 36 | 2000 | 0.4 | Pack, 1987 |
Sand | Ocoee, Florida, USA | 1.9 | 6.7 | 42 | 2211 | 0.45 |
|
Sandy clay loam | Stephenville, Texas, USA | 0.6 | 7 | 4895 | 815833 | 0.94 |
|
Loam | Greenville, Mississippi, USA | 1.5 | 5.5 | 10740 | 716000 | 1 |
|
Sandy loam | Greenville, Mississippi, USA | 1 | 7.1 | 1882 | 188200 | 0.75 |
|
Sandy clay loam | Argissolo, Eldorado do Sul, BR | 2.3 | 4.8 | 507 | 22025 | 0.558 | Monego, 2005 |
Clay | Latossolo, Nova Prata, BR | 2.7 | 4.7 | 1519 | 56272 | 0.693 |
|
Sand | Neossolo, Osorio, BR | 0.3 | 5.2 | 910 | 303477 | 0.678 |
|
Sandy loam | Gleissolo, Viamao, BR | 3.5 | 3.7 | 484 | 13834 | 0.588 |
|
Loam | Gartenacker, CH | 2.1 | 7.4 | 144 | 6857 | 0.5867 | Dixon, 2012 |
Sandy clay loam | 18 Acres, UK | 2.5 | 6.1 | 9011 | 360446 | 0.8925 |
|
Silty clay | Marsillargues, FR | 0.9 | 7.8 | 12932 | 1436850 | 0.9272 |
|
Sandy loam | North Dakota, USA | 2.8 | 7.4 | 70308 | 2511015 | 1.0649 |
|
Arithmetic mean / median Koc |
|
|
|
| 1696600 / 920000 | 0.7329 / 0.6930 |
|
pH dependence (yes / no) | No |
|
|
|
|
|
|
Dixon 2012
The adsorption/desorption characteristics of the radiolabelled test substance cation were studied under GLP using a standard batch equilibrium methodaccording to OECD TG 106 using Swiss Gartenacker soil (loam), British 18 Acres soil (sandy clay loam), French Marsillargues soil (silty clay) and US American North Dakota soil (sandy loam).
The definitive adsorption and desorption assessments were conducted in the dark at 20 ± 2°C. Soil samples (1 g dry weight equivalent) were pre-equilibrated with 0.01M calcium chloride solution (90 mL) overnightand then treated with solutions of radiolabelled test substance (10 mL) to produce duplicate samples per soil. Concentrations of the test substance in the aqueous phase were initially 0.05, 0.2, 0.5, 2 and 5 µg/mL (equivalent cation concentrations were 0.03, 0.11, 0.3, 1.1, and 2.7 µg/mL, respectively). The adsorption phase was followed by a single desorption phase to determine the reversibility of adsorption. The recovery of radioactivity was established in all four soils using the highest test concentration only.
North Dakota soil only was selected to determine the recovery of radioactivity at all remaining concentrations. This recovery was established by radioassay of the adsorption supernatants, desorption supernatants and soil extracts and by combustion of the soil residues to determine the mass balance. Stability was verified by HPLC analyses of selected pooled adsorption and desorption supernatants and soil extracts. The soil adsorption coefficients Kd and Koc, together with the Freundlich adsorption constants Kf and Kfoc, were determined for each soil based on the cation. One replicate sample at each concentration from the North Dakota soil (the soil with the highest Kd) and one replicate sample from the remaining soils (the highest concentration only) were analysed for the stability test and mass balance.
No significant degradation was observed in supernatants or soil extracts with overall recoveries of applied radioactivity in the selected samples being in the range 96.2 to 100.9%. Mean values for adsorption partition coefficients (Kd) per soil were in the range 869 to 44605 L/kg and (Koc) values were in the range 41404 to 2380784 L/kg. Freundlich adsorption coefficients (Kfoc) were in the range 6857 to 2511015 L/kg. This data was derived using cation concentrations. Mean values for desorption partition coefficients (Kd) per soil were in the range 1410 to 81326 L/kg and (Koc) values were in the range 67121 to 5109808 L/kg. The calculated Freundlich desorption coefficients (Kfoc) were in the range 7343 to 8482799 L/kg. The desorption constants of the test substance were higher than the adsorption constants thus demonstrating that adsorption was not fully reversible. Using the McCall Classification scale to assess the potential mobility of a chemical in soil (based on Kfoc) the test substance can be classified as being “immobile” in the four soils studied.
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