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EC number: 444-960-2 | CAS number: 39148-16-8
- 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:
- 25 Aug - 12 Sep 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method)
- Version / remarks:
- 2000
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- batch equilibrium method
- Media:
- soil
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Matrix no.:
- #1
- Matrix type:
- loam
- % Org. carbon:
- 6.54
- pH:
- 7.28
- CEC:
- 28.87 other: cmol/kg
- Matrix no.:
- #2
- Matrix type:
- silt loam
- % 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:
- COLLECTION AND STORAGE
- Geographic location: the soils selected for this study are from Jilin (#1, 125.73°, 42.28°), Jiangxi (#2, 117.07°, 28.23°), Jiangsu (#3, 120.30°, 31.60°), Shandong (#4, 116.06°, 34.81°), Gansu (#5, 100.40°, 38.90°), China
- Collection procedures: soil samples were transported using containers and under temperature conditions which guarantee that the initial soil properties were not significantly altered.
- Soil preparation (e.g.: 2 mm sieved; air dried etc.): The soils were air-dried at ambient temperature (20°C ~ 25 °C). The soils were sieved to a particle size 0.3 mm. The moisture content of each soil was determined on three aliquots with heating at 105 °C until there is no significant change in weight.
PROPERTIES
- Particle composition 2-0.05 mm: 5.36 (#1), 15.0 (#2), 19.76 (#3), 39.04 (#4), 11.96 (#5)
- Particle composition 0.05 - 0.002 mm: 61.6 (#1), 42.76 (#2), 74.08 (#3), 38.8 (#4), 73.2 (#5)
- Particle composition < 0.002 mm: 33.04 (#1), 42.24 (#2), 6.16 (#3), 22.16 (#4), 14.84 (#5)
- Al (%): 5.72 (#1, 7.87 (#2), 7.01 (#3), 5.56 (#4), 6.42 (#5)
- Fe (%): 2.72 (#1, 3.99 (#2), 3.36 (#3), 2.52 (#4), 3.54 (#5) - Details on test conditions:
- TEST SYSTEM
- Amount of soil and water per treatment (if simulation test): 2 g of soil and 50 mL of aqueous phase, concentration of the test substance in the solution (50.0 mg/L)
- Soil-water ratio (if simulation test): 1:25
- Blank: In every experiment one blank was run. It consisted of the soil and 0.01 mol/L CaCl2 solution, without test substance, and of weight and volume, respectively, identical to those of the experiment
- Number of reaction vessels/concentration: at least in duplicate
- Other: The standard stock solution I of the test substance (1.00 x 10^4 mg/L) was prepared by dissolving 1.0198 g test substance into 100 mL deionized water - Sample No.:
- #1
- Duration:
- 24 h
- Sample No.:
- #2
- Duration:
- 24 h
- Sample no.:
- #1
- Duration:
- 48 h
- Sample no.:
- #2
- Duration:
- 48 h
- Computational methods:
- - Adsorption and desorption coefficients (Kd): The distribution coefficient Kd was the ratio between the content of the substance in the soil phase and the mass concentration of the substance in the aqueous solution, under the test conditions, when adsorption equilibrium was reached. Kd = C s(ads)eq/C aq(ads)eq = m s(ads)eq/m aq(ads)eq * V0/m soil (cm3 g^-1), where C s(ads)eq= content of the substance adsorbed on the soil at adsorption equilibrium (µg g^-1); C aq(ads)eq = mass concentration of the substance in the aqueous phase at adsorption equilibrium (µg cm^-3); this concentration is analytically determined taking into account the values given by the blanks. m s(ads)eq = mass of the test substance adsorbed on the soil at adsorption equilibrium (µg); m aq(ads)eq = mass of the test substance in the solution at adsorption equilibrium (µg); m soil = quantity of the soil phase, expressed in dry mass of soil (g); V0 = initial volume ofthe aqueous phase in contact with the soil (cm3).
The relation between Aeq and Kd is given by: Kd = Aeq/100-Aeq * Vo/m soil (cm3 g^-1), where Aeq = percentage of adsorption at adsorption equilibrium, %.
- Freundlich adsorption and desorption coefficients: The Freundlich adsorption isotherms equation related the amount of the test substance adsorbed to the concentration of the test substance in solution at equilibrium. The data were treated as under "Adsorption" and, for each test tube, the content of the test substance adsorbed on the soil after the adsorption test (C s(ads)eq), elsewhere denoted as x/m) was calculated. It was assumed that equilibrium had been attained and that C s(ads)eq represented the equilibrium value:
- Slope of Freundlich adsorption/desorption isotherms:
- Adsorption coefficient per organic carbon (Koc): The organic carbon normalized adsorption coefficient Koc relates the distribution coefficient Kd to the content of organic carbon of the soil sample. Koc = Kd * 100/%OC (cm3 g^-1), where %OC = percentage of organic carbon in the soil sample (g g^-1).
- Regression coefficient of Freundlich equation
- Other: - Sample No.:
- #1
- Type:
- Koc
- Value:
- 613.9 L/kg
- Remarks on result:
- other: appropriate adsorption equilibrium time is 24 h
- Sample No.:
- #2
- Type:
- Koc
- Value:
- 9 216 L/kg
- Remarks on result:
- other: appropriate adsorption equilibrium time is 24 h
- Sample No.:
- #3
- Type:
- Koc
- Value:
- 2 683 L/kg
- Remarks on result:
- other: appropriate adsorption equilibrium time is 24 h
- Sample No.:
- #4
- Type:
- Koc
- Value:
- 7 140 L/kg
- Remarks on result:
- other: appropriate adsorption equilibrium time is 24 h
- Sample No.:
- #5
- Type:
- Koc
- Value:
- 621 L/kg
- Remarks on result:
- other: appropriate adsorption equilibrium time is 24 h
- Sample No.:
- #1
- Type:
- Kd
- Value:
- 40.1 L/kg
- Remarks on result:
- other: appropriate adsorption equilibrium time is 24 h
- Sample No.:
- #2
- Type:
- Kd
- Value:
- 124.9 L/kg
- Remarks on result:
- other: appropriate adsorption equilibrium time is 24 h
- Sample No.:
- #3
- Type:
- Kd
- Value:
- 143.8 L/kg
- Remarks on result:
- other: appropriate adsorption equilibrium time is 24 h
- Sample No.:
- #4
- Type:
- Kd
- Value:
- 99.2 L/kg
- Remarks on result:
- other: appropriate adsorption equilibrium time is 24 h
- Sample No.:
- #5
- Type:
- Kd
- Value:
- 42.5 L/kg
- Remarks on result:
- other: appropriate adsorption equilibrium time is 24 h
- Adsorption and desorption constants:
- The test substance adsorption isotherms on #1 and #2 soils are preferably followed Freundlich adsorption equation, correlative coefficients all are more than 0.9. The Freundlich adsorption coefficient ( Kf ads) values in five soils are 18.0, 397, 78.7, 9.79 and 69.5 µg^1-1/n * (cm3)^1/n g^-1 respectively. The 1/n value for different soils is 0.688 to 1.092. Desorption isotherms experiment was performed in the three soils (#1, #3, #4). The correlative coefficient of the Freundlich desorption isotherms equation was also more than 0.9 for three soils, therefore it is believed that the model can describe the desorption behaviors of the test substance in these soils as reported here after. The results of desorption isotherms show that the Freundlich desorption coefficient ( Kf des) values in the five soils are 51.3, 45.7, 100, 4.83 and 40.0 µg^1-1/n * (cm3)^1/n g^-1 respectively and the 1/n value ranged from 0.765 to 1.020.
- Transformation products:
- not measured
- Details on results (Batch equilibrium method):
- PRELIMINARY TEST
- Selection of optimal soil/solution ratios: two soil types (#1 and #2) and three soil/solution ratios described as follows were tested, 1.) 50 g soil and 50 mL aqueous solution of the test substance (ratio 1/1); 2.) 10 g soil and 50 mL aqueous solution of the test substance (ratio 1/5); and 3.) 2 g soil and 50 mL aqueous solution of the test substance (ratio 1/25). One control sample with only the test substance in 0.01 mol/L CaCl2 solution (no soil) was subjected to precisely the same steps as the test systems, in order to check the stability of the test substance in CaCl2 solution and its possible adsorption on the surfaces of the test vessels. A blank run per soil with the same amount of soil and total volume of 50 mL 0.01 mol/L CaCl2 solutions (without test substance) were subjected to the same test procedure. Air-dried soil samples were equilibrated by shaking with a minimum volume of 49.75 mL of 0.01 mol/L CaCl2 overnight (12 h) before the day of the experiment. Afterwards, 0.25 mL of the stock solution (1.00 x 10^4 mg/L) of the test substance was added. Samples were collected sequentially over a 24 h period of mixing (in the test at 2, 4, 6, 10, 24 h). After centrifugation and filtration, the aqueous phase of the first tube was recovered as completely as possible and was measured after 2 h, that of the second tube after 4 h, that of the third after 8 h, etc. The percentage adsorption Ati was calculated at each time point (ti) on the basis of the nominal initial concentration and the measured concentration at the sampling time (ti), corrected for the value of the blank. Plots of the Ati, versus time were generated in order to estimate the achievement of equilibrium plateau. The Kd value at equilibrium was also calculated. Based on this Kd value, appropriate soil/solution ratios were selected from OECD 106 Guideline, so that the percentage adsorption reached above 20% and preferably > 50%.
- Validity criteria fulfilled:
- not applicable
Reference
The adsorption coefficient (Kd) values of test substance in # 1, 2, 3, 4, 5 soil are 40.1, 124.9, 143.8, 99.2 and 42.5 cm3 g^-1, respectively. And the Koc values of test substance are 613.9, 9216, 2683, 7140 and 621.0 cm3 g^-1 in above soils respectively. The appropriate desorption equilibrium time is 48 h, and the desorption capacity of test substance in # 1, 2, 3, 4, 5 soil are 7.07%, 7.04%, 4.39%, 15.4% and 14.6% respectively. The desorption coefficient (Kdes) values of test substance in # 1, 2, 3, 4, 5 soil are 335.1, 336.8, 552.7, 137.9 and 149.1 cm3 g^-1, respectively.
The recoveries of the test substance from the whole test procedure were 95.8%, 91.0%, 88.1%, 97.4% and 95.9% under the test concentration 50.0 mg/L.
Table 1. Adsorption data of preliminary test
Time (h) |
Ati(%) |
|||||
#1 |
#2 |
|||||
Ratio 1/25 |
Ratio 1/5 |
Ratio 1/1 |
Ratio 1/25 |
Ratio 1/5 |
Ratio 1/1 |
|
2 |
32.5 |
55.2 |
94.1 |
62.9 |
100 |
100 |
4 |
37.4 |
68.4 |
96.5 |
65.2 |
100 |
100 |
6 |
42.9 |
71.3 |
98.2 |
72.7 |
100 |
100 |
10 |
54.6 |
84.5 |
100 |
80.5 |
100 |
100 |
24 |
61.1 |
93.2 |
100 |
83.0 |
100 |
100 |
Table 2. Results of Adsorption Kinetics
Time (h) |
Ati(%) |
||||
#1 (1/5) |
#2 (1/1) |
#3 (1/5) |
#4 (1/1) |
#5 (1/5) |
|
2 |
32.5 |
62.9 |
73.5 |
50.4 |
42.6 |
4 |
37.4 |
65.2 |
75.8 |
53.9 |
45.4 |
6 |
42.9 |
72.7 |
76.4 |
56.2 |
56.7 |
10 |
54.6 |
80.5 |
79.5 |
67.5 |
59.4 |
24 |
61.1 |
83.0 |
85.0 |
79.8 |
62.5 |
Kd(cm3/g) |
40.1 |
124.9 |
143.8 |
99.2 |
42.5 |
Koc(cm3/ g) |
613.9 |
9216 |
2683 |
7140 |
621.0 |
Table 3. Results of desorption kinetics
Time (h) |
Dti(%) |
||
#1 |
#2 |
#3 |
|
2 |
5.32 |
5.17 |
2.03 |
4 |
5.41 |
5.39 |
2.15 |
6 |
5.60 |
5.54 |
2.21 |
10 |
5.75 |
5.87 |
2.92 |
24 |
6.42 |
6.01 |
3.58 |
48 |
7.07 |
7.04 |
4.39 |
Kdes(cm3/ g) |
335.1 |
336.8 |
552.7 |
Table 4. Adsorption Isotherms data
C0(mg/L) |
#1 |
#2 |
#3 |
#4 |
#5 |
|||||
Cadss (eq) |
Cadsaq (eq) |
Cadss (eq) |
Cadsaq (eq) |
Cadss (eq) |
Cadsaq (eq) |
Cadss (eq) |
Cadsaq (eq) |
Cadss (eq) |
Cadsaq (eq) |
|
10.0 |
90.1 |
6.47 |
247 |
0.32 |
131 |
4.86 |
93.5 |
6.28 |
106 |
5.83 |
50.0 |
765 |
20.1 |
1057 |
8.58 |
1077 |
7.56 |
537 |
28.6 |
783 |
19.3 |
100 |
588 |
77.0 |
2145 |
15.9 |
1302 |
48.7 |
311 |
87.6 |
1737 |
31.9 |
500 |
5740 |
275 |
11324 |
56.1 |
7593 |
201 |
6737 |
232 |
3069 |
380 |
1000 |
10823 |
576 |
21844 |
144 |
11266 |
556 |
11909 |
526 |
5952 |
767 |
Table 5. Results of Adsorption Isotherms
Soil |
Freundlich adsorption equation |
KFads (µg1-1/n(cm3)1/ng-1) |
1/n |
#1 |
y = 0.991x +1.256, r2= 0.905 |
18.0 |
0.991 |
#2 |
y = 0.747x + 2.599, r2= 0.932 |
397 |
0.747 |
#3 |
y = 0.808x + 1.896, r2= 0.860 |
78.7 |
0.808 |
#4 |
y =1.092x + 0.991, r2= 0.846 |
9.79 |
1.092 |
#5 |
y = 0.688x + 1.842, r2= 0.836 |
69.5 |
0.688 |
Table 6. Desorption Isotherms data
C0(mg/L) |
#1 |
#2 |
#3 |
#4 |
#5 |
|||||
Cdess (eq) |
Cdesaq (eq) |
Cdess (eq) |
Cdesaq (eq) |
Cdess (eq) |
Cdesaq (eq) |
Cdess (eq) |
Cdesaq (eq) |
Cdess (eq) |
Cdesaq (eq) |
|
10.0 |
16.7 |
0.25 |
9.8 |
0.08 |
25.0 |
0.22 |
3.20 |
0.50 |
17.4 |
0.76 |
50.0 |
143 |
1.99 |
40.5 |
1.78 |
207 |
1.68 |
18.9 |
2.55 |
139 |
3.50 |
100 |
90.7 |
5.26 |
80.0 |
5.73 |
234 |
5.20 |
7.50 |
4.86 |
322 |
5.00 |
500 |
991.6 |
30.6 |
439 |
13.6 |
1453 |
12.9 |
236.4 |
32.9 |
418 |
38.5 |
1000 |
1985.1 |
35.2 |
855 |
18.5 |
2159 |
18.5 |
408 |
68.0 |
877 |
61.3 |
Table 7. Results of Desorption Isotherms
Soil |
Freundlich desorption equation |
KFdes (µg1-1/n(cm3)1/ng-1) |
1/n |
#1 |
y = 0.891X + 1.710, r2= 0.915 |
51.3 |
0.891 |
#2 |
y = 0.767x + 1.660, r2= 0.875 |
45.7 |
0.767 |
#3 |
y = 0.967x+2.000, r2= 0.943 |
100 |
0.967 |
#4 |
y= 1.020 x+0.684, r2= 0.903 |
4.83 |
1.020 |
#5 |
y = 0.765x + 1.602, r2= 0.845 |
40.0 |
0.765 |
Table 8. Results of Mass Balance
Soil |
M0(µg) |
Me(µg) |
Mde(µg) |
Ms(µg) |
Recovery (%) |
#1 |
2.50 |
1.00 |
0.0995 |
1.295 |
95.8 |
#2 |
2.50 |
0.429 |
0.0890 |
1.758 |
91.0 |
#3 |
2.50 |
0.378 |
0.0840 |
1.740 |
88.1 |
#4 |
2.50 |
1.43 |
0.128 |
0.877 |
97.4 |
#5 |
2.50 |
0.965 |
0.175 |
1.257 |
95.8 |
Description of key information
Koc = 613.9 - 9216 L/kg (OECD 106)
log Koc = 2.79 - 3.96 (OECD 106)
Key value for chemical safety assessment
Additional information
One GLP study on the adsorption/desorption according to OECD guideline 106 is available for Fosetyl-sodium. In this study the adsorption/desorption of the test substance was investigated in five types of soil with different pH, texture, and organic carbon contents sampled from JiLin (#1, loam), Jiangxi (#2, silt loam), Jiangsu (#3, silty clay loam), Shandong (#4, silt loam) and Ganshu (#5, silt loam) provinces of China.
The results show that optimal soil/aqueous ratio for five soils were 1: 25, and the appropriate adsorption equilibrium time was 24 h. The adsorption coefficient (Kd) values of the test substance in #1, #2, #3, #4, #5 soil are 40.1, 124.9, 143.8, 99.2 and 42.5 L/kg, respectively. And the Koc values of test substance are 613.9, 9216, 2683, 7140 and 621.0 L/kg in the soils, respectively. The appropriate desorption equilibrium time was 48 h, and the desorption capacity of test substance in #1, #2, #3, #4, #5 soil were 7.07%, 7.04%, 4.39%, 15.4% and 14.6%, respectively. The desorption coefficient (Kdes) values of test substance in #1, #2, #3, #4, #5 soil were 335.1, 336.8, 552.7, 137.9 and 149.1 L/kg, respectively. The test substance adsorption isotherms on #1 and #2 soils are preferably followed Freundlich adsorption equation correlative coefficients all are > 0.9. The Freundlich adsorption coefficient (KFads) values in five soils are 18.0, 397, 78.7, 9.79 and 69.5 µg1-1/n (cm3)1/n g-1, respectively. The 1/n value for different soils is 0.688 to 1.092. Desorption isotherms experiment was performed in the three soils (#1, #3, #4). The correlative coefficient of the Freundlich desorption isotherms equation was also > 0.9 for three soils, therefore it is believed that the model can describe the desorption behaviours of the test substance in these soils as reported hereafter. The results of desorption isotherms showed that the Freundlich desorption coefficient (KFdes) values in the five soils were 51.3, 45.7, 100, 4.83 and 40.0 µg1-1/n (cm3)1/n g-1, respectively and the 1/n value ranged from 0.765 to 1.020.
Based on the measured log Koc values ranging from 2.79 - 3.96, the registered substance shows a moderate sorption to the soil/sediment compartment.
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