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EC number: 475-300-1 | CAS number: -
- 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:
- From June 20, 2006 to July 17, 2006
- 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)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- Preliminary tests:
pH 4.0 and 50°C: 2.4 and 120 h
pH 7.0 and 50°C: 2.4 and 120 h
pH 9.0 and 50°C: 2.4 and 120 h
Main test:
Test 1 at pH 7.0 and 50°C: 1.3, 2.6, 4.3, 6.1, 22 and 23 h
Test 1 at pH 7.0 and 70°C: 0.3, 0.4, 0.7, 0.9, 1.3, 1.7 and 2.0 h
Test 1 at pH 7.0 and 30°C: 19, 26.3, 43, 66.2, 89.9, 97.6 and 165.3 h - Buffers:
- pH 4, 7 and 9
- Details on test conditions:
- Preparation of the Test Samples:
Solutions of the test item were prepared by weighing about 0.39 g to 0.45 g of the test item in 50 mL volumetric flasks and dissolving the test item in the relevant buffers. This preparation was done in a glove box filled with nitrogen.
Hydrolysis Procedure:
The flasks containing the hydrolysis mixtures were placed in a thermostatically controlled water bath at the selected temperature for the specified time.
METHOD
Pretests:
- The pretests were done at 50±0.5°C with buffers at pH 4, 7 and 9.
Test 1:
- At 50±0.5°C with buffer at pH 7. At least 6 aliquots were taken between a decomposition rate of 10 and 90%.
- At 70±0.5°C with buffer at pH 7. At least 6 aliquots were taken between a decomposition rate of 10 and 90%.
- At 30±0.5°C with buffer at pH 7. At least 6 aliquots were taken between a decomposition rate of 10 and 90%.
Each sample was measured twice. - Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 7.89 g/L
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 8.29 g/L
- Duration:
- 5 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 7.67 g/L
- Duration:
- 23 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 8.12 g/L
- Duration:
- 2 h
- pH:
- 7
- Temp.:
- 70 °C
- Initial conc. measured:
- 8.32 g/L
- Duration:
- 165.3 h
- pH:
- 7
- Temp.:
- 30 °C
- Initial conc. measured:
- 8.4 g/L
- Number of replicates:
- Preliminary Test: All experiments were run in duplicates
Main test: All experiments were run in duplicates - Positive controls:
- no
- Negative controls:
- no
- Transformation products:
- not measured
- pH:
- 4
- Temp.:
- 50 °C
- DT50:
- > 120 h
- Remarks on result:
- other: Based on the preliminary test, the degree of hydrolysis was <10 % within 120 h
- pH:
- 7
- Temp.:
- 50 °C
- DT50:
- > 2.4 - < 120 h
- Remarks on result:
- other: Based on the preliminary test, the degree of hydrolysis was 21.6% at 2.4 h and >99% at 121 h.
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.093 h-1
- DT50:
- 7.4 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Correlation coefficient (r) = 0.999
- pH:
- 7
- Temp.:
- 70 °C
- Hydrolysis rate constant:
- 1.05 h-1
- DT50:
- 0.7 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Correlation coefficient (r) = 0.999
- pH:
- 7
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0.007 h-1
- DT50:
- 97.1 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Correlation coefficient (r) = 0.999
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.003 h-1
- DT50:
- 204 h
- Remarks on result:
- other: Calculated by extrapolation. Correlation coefficient (r) = 0.999
- pH:
- 9
- Temp.:
- 50 °C
- DT50:
- < 2.4 h
- Remarks on result:
- other: Based on the preliminary test
- Details on results:
- - At pH 4, less than 10% of the reaction was observed after 120 h (5 d) at 50°C (half life >1 y). Thus the test substance was considered hydrolytically stable and according to the guidelines no additional testing was required.
- The decomposition at pH 7 was below 50% after 2.4 h at 50°C and above 10% after 120 h (5 d) at 50°C. Therefore, examination of the hydrolysis kinetics was essential. For pH 7 at 25°C, the half-life was determined by extrapolation of the results of the experiments at 30, 50 and 70°C, and was found to be 204 h (8.5 d).
- At pH 9, more than 50 % of the reaction was observed after 2.4 h at 50°C. Thus the test substance was considered hydrolytically unstable and according to the guidelines no additional testing was required. - Validity criteria fulfilled:
- yes
- Conclusions:
- Under the conditions of the study, the half-life of the test substance at pH 7 was found to be 7.4 h, 0.7 h and 97.1 h at 50, 70 and 30°C, respectively.
From these results, the rate constant at pH 7 and 25°C was calculated to be 0.0034 h-1, leading to a half-life of 204 h. - Executive summary:
A study was conducted to determine hydrolysis as a function of pH for the test substance according to EU Method C.7 and OECD Guideline 111, in compliance with GLP.
Based on the results of a preliminary test which demonstrated >50% hydrolysis within 2.4 h at pH 9.0 and <10% hydrolysis within 120 h (5 d) at pH 4.0, additional testing was only required at pH 7. Results of the main test (Test 1) at pH 7 demonstrated a pseudo first order reaction at 30, 50 and 70°C. From the results, the rate constant (Kobs) and the half-life (t1/2) of the test substance were derived or calculated for different temperatures at pH 7.
Under the conditions of the study, the half-life of the test substance at pH 9 was <2.4 h and at pH 4 was >120 h. The half-life of the test substance at pH 7 was found to be 7.4 h, 0.7 h and 97.1 h at 50, 70 and 30°C, respectively.
From these results, the rate constant at pH 7 and 25°C was calculated to be 0.0034 h-1, leading to a half-life of 204 h.
Reference
TABLE 1: PRELIMINARY TEST
Test conditions |
Time point (h) |
% hydrolysis |
Comment |
Test at pH 4.0 and 50°C |
2.4 |
- |
Further testing not required as the degree of hydrolysis was lower than 10% within 120 h. |
120 |
5.07 |
||
Test at pH 7.0 and 50°C |
2.4 |
21.6 |
Further testing necessary as the degree of hydrolysis was lower than 50% within 2.4 h and higher than 10% within 120 h. |
120 |
>99.0 |
||
Test at pH 9.0 and 50°C |
2.4 |
>99.0 |
No further testing necessary as the degree of hydrolysis was higher than 50% within 2.4 h. |
120 |
>99.0 |
TABLE 2: MAIN TEST
Test conditions |
Kobs |
t1/2 |
Comment |
Test 1 at pH 7.0 and 50°C |
0.093 h-1 |
7.4 h |
Results indicated a pseudo first order reaction. |
Test 1 at pH 7.0 and 70°C |
1.05 h-1 |
0.7 h |
Results indicated a pseudo first order reaction. |
Test 1 at pH 7.0 and 30°C |
0.0071 h-1 |
97.1 h |
Results indicated a pseudo first order reaction. |
Description of key information
The rate constant for hydrolysis at pH 7 and 25°C was calculated to be 0.0034/h, leading to a half-life of 204 h.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 204 h
- at the temperature of:
- 25 °C
Additional information
A study was conducted to determine hydrolysis as a function of pH for the test substance according to EU Method C.7 and OECD Guideline 111, in compliance with GLP. Based on the results of a preliminary test which demonstrated >50% hydrolysis within 2.4 h at pH 9.0 and <10% hydrolysis within 120 h (5 d) at pH 4.0, additional testing was only required at pH 7. Results of the main test (Test 1) at pH 7 demonstrated a pseudo first order reaction at 30, 50 and 70°C.From the results, the rate constant (Kobs) and the half-life (t1/2) of the test substance were derived or calculated for different temperatures at pH 7. Under the conditions of the study, the half-life of the test substance at pH 9 was <2.4 h and at pH 4 was >120 h. The half-life of the test substance at pH 7 was found to be 7.4 h, 0.7 h and 97.1 h at 50, 70 and 30°C, respectively. From these results, the rate constant at pH 7 and 25°C was calculated to be 0.0034 h-1, leading to a half-life of 204 h (Moller, 2006a).
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