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EC number: 279-317-3 | CAS number: 79828-43-6
- 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- GLP compliance:
- yes
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- Performance of the Preliminary Test
Fortified Samples:
(90 % Level) A stock solution of the test item was prepared in pure water at a concentration level of approx. 1 g/L. 2.25 mL of the stock solution were transferred into a 25 mL volumetric flask and filled up to the mark with the respective buffer solution resulting in a final concentration of about 90 mg/L. Five replicates were prepared for each pH-value. The fortified samples were treated as the test solution meaning that the samples were first filled into 10 mL volumetric flasks and thereafter diluted 1:1 v/v with acetonitrile.
Test Solution:
A stock solution of the test item was prepared in pure water at a concentration level of approx. 10 g/L. 2 mL of the stock solution were transferred into a 200 mL volumetric flask and filled up to the mark with the respective buffer solution resulting in a final concentration of about 100 mg/L. The concentration was below 0.01 M or half of the saturation concentration of the test item in water.
Incubation of the Test Solution:
The solutions were incubated at approx. 50 °C at three different pH values (4, 7, 9) at time intervals from 0 h to 120 h.
Sampling: Three samples of solutions of each pH-value were taken after 0 h for the determination of the applied concentration whereas two samples were taken at each following sampling point.
Sampling points: 0, 4, 24, 120 hours.
Sample Preparation: After sampling, samples were diluted 1:1 v/v with acetonitrile to stop the hydrolysis process.
Sterility Control: A sterility confirmation test was performed at the end of the incubation period. To do this, separate test vessels were incubated under test conditions as described above. At the end of the maximal incubation period dip slides for fluids (Roti-Dip Slides (PCA/RBCplus), Carl-Roth GmbH, Karlsruhe, Germany) were wetted completely with the samples. Excess sample was allowed to run off. The dip slides were placed back into their tube and incubated at 21 ± 1 °C for 4 days. No colonies on the agar were observed.
Performance of the Main Test at pH 4
According to the results of the preliminary test a decline of the test item >10 % of the nominal concentration was found at pH 4 after 5 days at 50 °C. Thus, a main test at this specific pH had to be performed.
Test Solution:
A stock solution of the test item was prepared in pure water at a concentration level of approx. 10 g/L. 2.0 or 2.5 mL of the stock solution were transferred into a 200 or 250 mL volumetric flask and filled up to the mark with the respective buffer solution resulting in a final concentration of about 100 mg/L. The concentration was below 0.01 M or half of the saturation concentration of the test item in water.
Fortified Samples: (10 % Level)
A stock solution of the test item was prepared in pure water at a concentration level of approx. 1 g/L. The stock solution was diluted with the respective buffer solution resulting in a final concentration of about 10 mg/L. Five replicates were prepared at a pH of 4. The fortified samples were treated as the test solution meaning that the samples were first filled into 10 mL volumetric flasks and thereafter diluted 1:1 v/v with acetonitrile.
Performance of the Main Test pH 4 at 20 °C
Incubation of the Test Solution: The test item solution was incubated at 20 ± 2.0 °C in the dark.
Sampling: Three samples were taken after 0 d for the determination of the applied concentration whereas two samples were taken at each following sampling point.
Sampling points: 0, 4, 8, 11, 15, 18, 22, 25, 29 days
Test Duration:
Maximum incubation time was 29 days.
Sample Preparation:
After sampling, samples were diluted 1:1 v/v with acetonitrile to stop the hydrolysis process.
Sterility Control:
A sterility confirmation test was performed at the end of the incubation period. To do this, separate test vessels were incubated under test conditions as described above. At the end of the maximal incubation period dip slides for fluids (Hycon GK-T/HS, Heipha Dr. Müller GmbH, Eppelheim, Germany) were wetted completely with the samples. Excess sample was allowed to run off. The dip slides were placed back into their tube and incubated at 21 ± 1 °C for 4 days. No colonies on the agar were observed.
Documentation:
All observations and the measurements obtained were documented in the raw data for each experiment.
Performance of the Main Test pH 4 at 50 °C
Incubation of the Test Solution:
The test item solution was incubated at 50 °C ± 0.5 °C in the dark.
Sampling:
Three samples were taken after 0 d for the determination of the applied concentration whereas two samples were taken at each following sampling point.
Sampling points: 0, 4, 8, 11, 15, 18, 22, 25, 29 days
Test Duration:
Maximum incubation time was 29 days.
Sample Preparation: After sampling, samples were diluted 1:1 v/v with acetonitrile to stop the hydrolysis process.
Sterility Control: A sterility confirmation test was performed at the end of the incubation period. To do this, separate test vessels were incubated under test conditions as described above. At the end of the maximal incubation period dip slides for fluids (Hycon GK-T/HS, Heipha Dr. Müller GmbH, Eppelheim, Germany) were wetted completely with the samples. Excess sample was allowed to run off. The dip slides were placed back into their tube and incubated at 21°C ± 1°C for 4 days. No colonies on the agar were observed.
Documentation: All observations and the measurements obtained were documented in the raw data for each experiment.
Performance of the Main Test pH 4 at 60 °C
Incubation of the Test Solution: The test item solution was incubated at 60 ± 5.7 °C.
Sampling: Three samples were taken after 0 d for the determination of the applied concentration whereas two samples were taken at each following sampling point.
Sampling points: 0, 2, 5, 7, 9, 12, 14 days
Test Duration: Maximum incubation time was 14 days.
Sample Preparation:
After sampling, samples were diluted 1:1 v/v with acetonitrile to stop the hydrolysis process.
Sterility Control:
A sterility confirmation test was performed at the end of the incubation period. To do this, separate test vessels were incubated under test conditions as described above. At the end of the maximal incubation period dip slides for fluids (Roti-Dip Slides (PCA/RBCplus), Carl-Roth GmbH, Karlsruhe, Germany) were wetted completely with the samples. Excess sample was allowed to run off. The dip slides were placed back into their tube and incubated at 21 ± 1°C for 4 to 5 days. No colonies on the agar were observed.
Documentation:
All observations and the measurements obtained were documented in the raw data for each experiment. - Buffers:
- The buffer solutions were prepared as described below. The pH of each buffer solution at the relevant temperatures was checked with a pH meter. Each buffer solution was purged with nitrogen gas and sterilized by heating in an autoclave before using it to prepare the test solution.
Pre-Test:
pH 4:
C8H5KO4 buffer (0.1 M)
500 mL potassium hydrogen phthalate solution (10.212 g C8H5KO4 / 500 mL pure water) was mixed with 40 mL sodium hydroxide solution (0.1 mol/L NaOH) and filled up to 1000 mL with pure water resulting in a pH-value of 4.0 (at 21 °C).
pH 7:
KH2PO4 buffer (0.1 M)
500 mL potassium dihydrogen phosphate solution (6.082 g KH2PO4 / 500 mL pure water) were mixed with 296 mL sodium hydroxide solution (0.1 mol/L NaOH) and filled up to 1000 mL with pure water resulting in a pH-value of 7.0 (at 22 °C).
pH 9:
Boric acid buffer (0.1 M)
500 mL boric acid solution (3.082 g H3BO3 / 500 mL KCl 0.1 M) was mixed with 213 mL sodium hydroxide solution (0.1 M NaOH) and filled up to 1000 mL with pure water resulting in a pH-value of 9.0 (at 22 °C).
Main Test:
Citric acid buffer (0.1 M)
330 mL citric acid solution (21.013 g citric acid / 1000 mL pure water) were mixed with 170 mL sodium citrate solution (29.409 g C6H5O7Na3 x 2 H2O / 1000 mL pure water) and filled up to 1000 mL with pure water resulting in a pH-value of 4.0 (at 20 °C).
The buffer solution was purged with nitrogen gas and sterilized by heating in an autoclave before using it to prepare the test solution.
- Details on test conditions:
- Surrounding Conditions: The test containers were maintained at constant temperature in the dark:
Surrounding Conditions: The vessels containing the test solution were maintained at constant temperature in the dark:
Pre-test (pH 4, 7, 9):
50°C ± 0.5°C, darkness
Main-test (pH 4):
Temp. A: 20°C ± 2.0°C, darkness
Temp. B: 50°C ± 0.5°C, darkness
Temp. C: 60°C ± 5.7°C, darkness
Test Vessels: Stoppered glass flasks were used for carrying out the tests. All glassware was sterilised before usage.
Reagents: Purity ≥ 99% - Duration:
- 29 d
- pH:
- 4
- Temp.:
- 20 °C
- Initial conc. measured:
- 100.79 mg/L
- Duration:
- 29 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 100.99 mg/L
- Duration:
- 14 d
- pH:
- 4
- Temp.:
- 60 °C
- Initial conc. measured:
- 98.33 mg/L
- Number of replicates:
- Two samples of solutions of each pH value at each test temperature were taken at each sampling point.
- Positive controls:
- no
- Negative controls:
- no
- Statistical methods:
- None
- Preliminary study:
- The test item was dissolved in aqueous solutions buffered at pH 4, 7 and 9 and incubated at 50 ± 2.4 °C for maximum of 5 days.
In the incubated samples at pH 7 and 9 no significant decline of the test item concentration was observed. After 5 days of incubation more than 90 % of the initial concentrations could be observed.
No main test was to be performed at pH 7 and 9.
In case of samples incubated at pH 4 (phthalate buffer) a significant degradation of the test item was observed. After 5 days of incubation 75 % of the initial concentration could be observed.
A main test was to be perfomed at pH 4. - Transformation products:
- not measured
- % Recovery:
- 98
- St. dev.:
- 0
- pH:
- 4
- Temp.:
- 20 °C
- Duration:
- 29 d
- % Recovery:
- 89
- St. dev.:
- 0
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 29 d
- % Recovery:
- 91
- St. dev.:
- 1
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 14 d
- Remarks on result:
- hydrolytically stable based on preliminary test
- Details on results:
- Samples at pH 4 were incubated at 20, 50 and 60°C for 29 d and 14 d, respectively. The buffer solution was changed to reduce matrix effects and to enhance the sensitvity of the analytical method.
In the incubated samples no significant decline of the test item concentration was observed. At the end of incubation at least 89 % of the initial concentration could be found. Under environmental relevant conditions (20 °C) 98 % of the initial amount were detected after 29 days of incubation.
As the test item was found to be stable further calculations (e.g. reaction rate constant or half-life) were not executed. - Validity criteria fulfilled:
- yes
- Conclusions:
- The test item was hydrolytically stable at pH 4, 7 and 9.
- Executive summary:
The abiotic degradation (Hydrolysis as a function of pH)
of the test item (FAT 40210/F TE)was determined based on the procedures indicated by the following internationally accepted methods:
- OECD Guideline No. 111
- EU Method C.7
Pre-Test:
The test item was dissolved in aqueous solutions buffered at pH 4, 7 and 9 and incubated at 50 ± 2.4 °C for maximum of 5 days.
In the incubated samples at pH 7 and 9 no significant decline of the test item concentration was observed. After 5 days of incubation more than 90% of the initial concentrations could be observed.
No main test was to be performed at pH 7 and 9.
In case of samples incubated at pH 4 (phthalate buffer) a significant degradation of the test item was observed. After 5 days of incubation 75 % of the initial concentration could be observed.
A main test was to be perfomed at pH 4.
Main Test:
Samples at pH 4 were incubated at 20, 50 and 60 °C for 29 d and 14 d, respectively. The buffer solution was changed to reduce matrix effects and to enhance the sensitvity of the analytical method.
In the incubated samples no significant decline of the test item concentration was observed. At the end of incubation at least 89 % of the initial concentration could be found. Under environmental relevant conditions (20 °C) 98 % of the initial amount were detected after 29 days of incubation.
As the test item was found to be stable further calculations (e.g. reaction rate constant or half-life) were not executed.
This study is classified acceptable and satisfies the guideline requirements for hydrolysis studies.
Reference
Results of the Preliminary Tests
Concentration in Samples | Recovery | |||||
Incubation Period | Replicate | Found | Dilution Factor | Calculated1 | % Nominal | Mean |
[h] | [mg/L] | [mg/L] | ||||
pH 4 | ||||||
0 | A | 44.334 | 2 | 88.669 | 101 % | 100 % |
B | 43.693 | 2 | 87.386 | 100 % | ||
C | 43.561 | 2 | 87.123 | 99 % | ||
4 | A | 45.812 | 2 | 91.625 | 104 % | 104 % |
B | 45.727 | 2 | 91.454 | 104 % | ||
24 | A | 43.275 | 2 | 86.550 | 99 % | 99% |
B | 43.150 | 2 | 86.301 | 98 % | ||
120 | A | 32.018 | 2 | 64.036 | 73 % | 75 % |
B | 33.454 | 2 | 66.908 | 76 % | ||
pH 7 | ||||||
0 | A | 52.431 | 2 | 104.863 | 100 % | 100 % |
B | 52.430 | 2 | 104.860 | 100 % | ||
C | 52.483 | 2 | 104.966 | 100 % | ||
4 | A | 52.993 | 2 | 105.986 | 101 % | 102% |
B | 53.460 | 2 | 106.919 | 102 % | ||
24 | A | 52.537 | 2 | 105.073 | 100 % | 103% |
B | 54.977 | 2 | 109.954 | 105 % | ||
120 | A | 51.115 | 2 | 102.230 | 97 % | 98 % |
B | 51.388 | 2 | 102.776 | 98 % | ||
pH 9 | ||||||
0 | A | 52.358 | 2 | 104.716 | 100 % | 100 % |
B | 52.331 | 2 | 104.662 | 100 % | ||
C | 52.126 | 2 | 104.253 | 100 % | ||
4 | A | 52.595 | 2 | 105.190 | 101 % | 100 % |
B | 52.281 | 2 | 104.562 | 100 % | ||
24 | A | 56.366 | 2 | 112.732 | 108 % | 109 % |
B | 57.055 | 2 | 114.111 | 109 % | ||
120 | A | 50.826 | 2 | 101.651 | 97 % | 96% |
B | 48.982 | 2 | 97.965 | 94 % | ||
1Values calculated from exact raw data | ||||||
Nominal concentrations: pH4 = 87.73 mg/L; pH7 = 104.90 mg/L; pH9 = 104.54 mg/L | ||||||
Results of the Main Test
Concentration in Samples | Recovery | |||||
Incubation Period | Replicate | Found | Dilution Factor | Calculated1 | % Nominal | Mean |
[d] | [mg/L] | [mg/L] | ||||
20°C | ||||||
0 | A | 50.956 | 2 | 101.912 | 101 % | 100 % |
B | 50.218 | 2 | 100.435 | 100 % | ||
C | 50.009 | 2 | 100.017 | 99 % | ||
4 | A | 47.977 | 2 | 95.954 | 95 % | 96 % |
B | 48.510 | 2 | 97.021 | 96 % | ||
8 | A | 48.510 | 2 | 97.020 | 96 % | 97 % |
B | 48.764 | 2 | 97.528 | 97 % | ||
11 | A | 51.673 | 2 | 103.345 | 103 % | 103 % |
B | 51.803 | 2 | 103.606 | 103 % | ||
15 | A | 50.006 | 2 | 100.011 | 99 % | 99 % |
B | 49.620 | 2 | 99.240 | 98 % | ||
18 | A | 48.634 | 2 | 97.268 | 97 % | 98 % |
B | 49.641 | 2 | 99.282 | 99 % | ||
22 | A | 49.408 | 2 | 98.817 | 98 % | 98 % |
B | 49.183 | 2 | 98.366 | 98 % | ||
25 | A | 50.485 | 2 | 100.971 | 100 % | 99 % |
B | 49.044 | 2 | 98.087 | 97 % | ||
29 | A | 49.547 | 2 | 99.095 | 98 % | 98 % |
B | 49.517 | 2 | 99.034 | 98 % | ||
50°C | ||||||
0 | A | 50.288 | 2 | 100.575 | 100 % | 100 % |
B | 50.454 | 2 | 100.908 | 100 % | ||
C | 50.748 | 2 | 101.495 | 100 % | ||
4 | A | 47.417 | 2 | 94.835 | 94 % | 94% |
B | 47.012 | 2 | 94.024 | 93 % | ||
8 | A | 47.540 | 2 | 95.080 | 94 % | 94% |
B | 47.054 | 2 | 94.107 | 93 % | ||
11 | A | 49.884 | 2 | 99.768 | 99 % | 98% |
B | 49.234 | 2 | 98.469 | 98 % | ||
15 | A | 47.649 | 2 | 95.299 | 94 % | 95 % |
B | 48.553 | 2 | 97.105 | 96 % | ||
18 | A | 46.313 | 2 | 92.627 | 92 % | 92 % |
B | 46.882 | 2 | 93.764 | 93 % | ||
22 | A | 46.718 | 2 | 93.437 | 93 % | 93% |
B | 47.590 | 2 | 95.179 | 94 % | ||
25 | A | 46.374 | 2 | 92.748 | 92 % | 92 % |
B | 46.600 | 2 | 93.201 | 92 % | ||
29 | A | 44.951 | 2 | 89.901 | 89 % | 89 % |
B | 44.797 | 2 | 89.595 | 89 % | ||
60°C | ||||||
0 | A | 48.957 | 2 | 97.914 | 100 % | 100 % |
B | 49.216 | 2 | 98.433 | 100 % | ||
C | 49.321 | 2 | 98.643 | 100 % | ||
2 | A | 47.416 | 2 | 94.831 | 96 % | 96 % |
B | 46.893 | 2 | 93.785 | 95 % | ||
5 | A | 49.597 | 2 | 99.194 | 101 % | 101% |
B | 49.706 | 2 | 99.412 | 101 % | ||
7 | A | 48.133 | 2 | 96.266 | 98 % | 99 % |
B | 49.088 | 2 | 98.177 | 100 % | ||
9 | A | 47.047 | 2 | 94.095 | 96 % | 95 % |
B | 46.580 | 2 | 93.160 | 95 % | ||
12 | A | 45.482 | 2 | 90.963 | 93 % | 92% |
B | 44.538 | 2 | 89.075 | 91 % | ||
14 | A | 45.341 | 2 | 90.682 | 92 % | 91 % |
B | 44.519 | 2 | 89.038 | 91 % | ||
1Values calculated from exact raw data | ||||||
Nominal concentrations: 20 °C = 100.79 mg/L; 50 °C =100.99 mg/L; 60 °C = 98.33 mg/L |
Description of key information
Neither degradation rate nor corresponding half life values were calculated as the test item was found to be stable at pH 4, 7 and 9.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 6.7 yr
- at the temperature of:
- 20 °C
Additional information
In a GLP compliant OECD 111 guideline study the test substance is found to be hydrolytically stable at pH 4, 7 and 9. In this study, in the incubated samples no significant decline of the test item concentration was observed. At the end of incubation at least 89 % of the initial concentration could be found. Under environmental relevant conditions (20 °C) 98 % of the initial amount were detected after 29 days of incubation. As the test item was found to be stable further calculations (e.g. reaction rate constant or half-life) were not executed.
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