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EC number: 443-090-0 | 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:
- December 19, 2001 to May 02, 2002
- 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)
- Version / remarks:
- 1992
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 1995
- GLP compliance:
- yes
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- The samples were injected into the HPLC system without further pretreatment. Some of them were diluted with water. Approximately 25 mg of the test substance were dissolved in 100 mL of water and used as an external standard. The results of the tests were not corrected for the purity of the test substance.
PRELIMINARY TEST: Samples were collected at 0 h, 2.4 h and 120 h. To stop the reaction after sampling, the samples were cooled with ice. They were stored at <0°C if they could not be analysed immediately. For the calculation of the degree of hydrolysis, the mean values of both measurements at 0 h were taken.
MAIN TEST: Samples were collected at the following time points - 0, 6, 24, 27.5 and 31 h from the test systems incubated at 50°C (Test 1); and at 0, 26, 44.5 and 117 h from test systems incubated at 38°C (Test 3) - Buffers:
- Standard buffer solution (pH 4, 7 and 9) were used.
- Details on test conditions:
- PRELIMINARY TESTS
Preparation of test solutions:
A known concentration of the test substance was dissolved in 2000 mL standard buffer pH 4 (measured 3.8 - 3.9), or standard buffer pH 7 (measured 6.8 - 6.9), or standard buffer pH 9 (measured 8.7 - 8.8) tempered at 50±0.5°C in special reaction flasks.
Sampling:
A sample of each solution was taken and the start concentrations were determined. The reaction flasks were then protected from light. Samples were again taken after 2.4 and 120 h. To stop the reaction after sampling the samples were cooled with ice. They were stored at <0°C if they could not be analysed immediately. All samples were injected twice. The pH values of the buffer solutions were measured at the beginning and at the end of the experiments. For the calculation of the degree of hydrolysis, the mean values of both measurements at 0 h were taken.
MAIN TESTS
Test 1:
Preparation of test solutions:
A known concentration of the test substance was dissolved in 2000 mL standard buffer pH 4 (measured 4.0 - 4.2) or standard buffer pH 7 (measured 6.9 - 7.2) tempered at 50°C in special reaction flasks.
Test 3:
Preparation of test solutions:
A known concentration of the test substance was dissolved in 2000 mL standard buffer pH 4 (measured 4.0 - 4.0) or standard buffer pH 7 (measured 7.0 - 7.1) tempered at 38°C in special reaction flasks.
Sampling:
A sample of each solution was taken and the start concentrations were determined. The reaction flasks were then protected from light. Samples were taken after appropriate times. To stop the reaction after sampling the samples were cooled with ice. They were stored at <0°C if they could not be analysed immediately. All samples were injected twice. The pH values of the buffer solutions were measured at the beginning and at the end of the experiments. For the calculation of the degree of hydrolysis the mean values of both measurements at 0 h were taken. - Duration:
- 48 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 506 mg/L
- Duration:
- 117 h
- pH:
- 4
- Temp.:
- 38 °C
- Initial conc. measured:
- 482.5 mg/L
- Duration:
- 31 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 509.5 mg/L
- Duration:
- 117 h
- pH:
- 7
- Temp.:
- 38 °C
- Initial conc. measured:
- 515.5 mg/L
- Number of replicates:
- No experimental replicates were performed. However, each sample was analyzed twice.
- Positive controls:
- no
- Negative controls:
- no
- Preliminary study:
- As result from the preliminary tests additional testing at pH 9 was not required because the degree of hydrolysis was higher than 50 % within 2.4 hours. Additional testing at pH 4 and 7 was required because the degree of hydrolysis was lower than 50 % within 2.4 hours and higher than 10 % within 5 days.
- Transformation products:
- not measured
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.025
- DT50:
- 27.2 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Correlation coefficient ‘r’ = 0.9998
- pH:
- 4
- Temp.:
- 38 °C
- Hydrolysis rate constant:
- 0.006
- DT50:
- 109.24 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Correlation coefficient ‘r’ = 0.9949
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.001
- DT50:
- 564 h
- Remarks on result:
- other: Calculated.
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.04
- DT50:
- 17.26 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Correlation coefficient ‘r’ = 0.9982
- pH:
- 7
- Temp.:
- 38 °C
- Hydrolysis rate constant:
- 0.007
- DT50:
- 101.08 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Correlation coefficient ‘r’ = 0.9895
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.001
- DT50:
- 801 h
- Remarks on result:
- other: Calculated.
- pH:
- 9
- Temp.:
- 50 °C
- DT50:
- < 2.4 h
- Remarks on result:
- other: Based on the preliminary test.
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- < 24 h
- Remarks on result:
- other: Calculated.
- Details on results:
- In the main tests for test 1 (pH 4 and 7 at 50 °C) a linear dependence on time of degradation and the logarithm to base ten of the test item concentration was obtained which means that the hydrolysis reaction was a pseudo first order reaction.
Because of these results further tests at pH 4 and 7 according to test 3 were performed at 38 °C. From the measured results the rate constants (Kobs) and the half-life (t 1/2) of the test item were calculated - Validity criteria fulfilled:
- yes
- Conclusions:
- Under the conditions of the study, the half-life of the test substance at pH 9 was considered to be < 2.4 h. The half-life of the test substance at pH 4 and 7 were determined to be 27.20 and 17.26 h, respectively, at 50°C, and 109.24 and 101.08 h, respectively, at 38°C. From the Arrhenius equation, the rate constant at 25°C were calculated to be 0.00124 and 0.00086 at pH 4 and 7, respectively, and the corresponding half-lives were 564 and 801 h.
- Executive summary:
A study was conducted to determine hydrolysis as a function of pH for the test substance according to OECD Guideline 111 and EU Method C.7, in compliance with GLP.
Based on results of the preliminary tests which demonstrated >50% hydrolysis within 2.4 h at pH 9.0, additional testing was only required at pH 4 and 7. Results of the main test (Test 1) at pH 4 and 7 at 50°C demonstrated a pseudo first order reaction. Therefore, further testing at pH 4 and 7 at 38°C was carried out according to 'Test 3'. From the results the rate constant (Kobs) and the half-life (t1/2) of the test substance were derived or calculated for different temperatures and pH conditions.
Under the conditions of the study, the half-life of the test substance at pH 9 was considered to be < 2.4 h. The half-life of the test substance at pH 4 and 7 were determined to be 27.20 and 17.26 h, respectively, at 50°C, and 109.24 and 101.08 h, respectively, at 38°C. From the Arrhenius equation, the rate constant at 25°C were calculated to be 0.00124 and 0.00086 at pH 4 and 7, respectively, and the corresponding t1/2were 564 and 801 h.
Reference
TABLE 1: PRELIMINARY TEST
Test conditions |
Time point (h) |
% hydrolysis |
Comment |
Test at pH 4.0 and 50°C |
2.4 |
-1.50 |
Further testing necessary as the degree of hydrolysis was lower than 50% within 2.4 h and higher than 10% within 120 h. |
120 |
95.38 |
||
Test at pH 7.0 and 50°C |
2.4 |
6.17 |
Further testing necessary as the degree of hydrolysis was lower than 50% within 2.4 h and higher than 10% within 120 h. |
120 |
70.25 |
||
Test at pH 9.0 and 50°C |
2.4 |
68.77 |
No further testing necessary as the degree of hydrolysis was higher than 50% within 2.4 h. |
120 |
53.16 |
TABLE 2: MAIN TEST
Test conditions |
Kobs |
t1/2 |
Comment |
Test 1 at pH 4.0 and 50°C |
0.0255 h-1 |
27.20 h |
Results indicated a pseudo first order reaction. Test 3 was therefore performed at 38°C. |
Test 3 at pH 4.0 and 38°C |
0.0063 h-1 |
109.24h |
|
Test 1 at pH 7.0 and 50°C |
0.0401 h-1 |
7.26h |
Results indicated a pseudo first order reaction. Test 3 was therefore performed at 38°C. |
Test 3 at pH 7.0 and 38°C |
0.0069 h-1 |
101.08 h |
|
Description of key information
Under the conditions of the study, the half-life of the test substance at pH 9 was considered to be < 2.4 h. The half-life of the test substance at pH 4 and 7 were determined to be 27.20 and 17.26 h, respectively, at 50°C, and 109.24 and 101.08 h, respectively, at 38°C. From the Arrhenius equation, the rate constant at 25°C were calculated to be 0.00124 and 0.00086 at pH 4 and 7, respectively, and the corresponding half-lives were 564 and 801 h.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 801 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 OECD Guideline 111 and EU Method C.7, in compliance with GLP. Based on results of the preliminary tests which demonstrated >50% hydrolysis within 2.4 h at pH 9.0, additional testing was only required at pH 4 and 7. Results of the main test (Test 1) at pH 4 and 7 at 50°C demonstrated a pseudo first order reaction. Therefore, further testing at pH 4 and 7 at 38°C was carried out according to 'Test 3'. From the results the rate constant (Kobs) and the half-life (t1/2) of the test substance were derived or calculated for different temperatures and pH conditions.
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