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EC number: 641-048-8 | CAS number: 110839-13-9
- 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 2008-07-14 to 2008-08-22
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- GLP and guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Deviations:
- no
- Remarks:
- Deviation Concerning: Result Evaluation (Data Handling) According to the Study Plan: kobs = -slope * 2.303 t1/2 = 0.693/kobs Deviation: kobs = –slope (eq. 3) t1/2 = ln2/kobs (ln2=0.693)
- 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
- Buffers:
- Compositions of the buffer solutions:
pH 4.0: 2 mL 0.2 M Sodium hydroxide and 250 mL 0.2 M Potassium hydrogen phthalate was diluted to 1000 mL with ultra-pure water
pH 9.0: 107.0 mL 0.2 M Sodium hydroxide and 250 mL 0.2 M Boric acid and Potassium chloride were diluted to 1000 mL with ultra-pure water
These sterile buffer solutions were prepared using reagent grade chemicals and ultra-pure, sterile water. The needed amount was prepared according to the above ratios. The pH of the buffer solutions was checked with a calibrated pH meter. - Details on test conditions:
- The hydrolysis was examined at the two different pH values 4.0 and 9.0 in the dark. Temperature: 50 °C ± 0.5 °C, 55 °C ± 0.5 °C, 67 °C ± 0.5 °C.
Light and oxygen: The hydrolysis reaction was carried out using a dark thermostat to avoid photolytic effects. Nitrogen was bubbled into the water for five minutes before the preparation of the solutions in order to exclude oxygen. All glassware, water and buffer solution were sterilised. - Duration:
- 2 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 105 mg/L
- Duration:
- 4 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 95 mg/L
- Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 95 mg/L
- Duration:
- 6 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 89 mg/L
- Duration:
- 9 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 73 mg/L
- Duration:
- 12 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 59 mg/L
- Duration:
- 15 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 53 mg/L
- Duration:
- 19 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 44 mg/L
- Duration:
- 1 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 113 mg/L
- Duration:
- 2 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 93 mg/L
- Number of replicates:
- Three replicates.
- Positive controls:
- no
- Negative controls:
- yes
- Remarks:
- Control buffer
- Statistical methods:
- Calculations were carried out using “EXCEL for Windows". The calibration curves were constructed with “STATISTICA for Windows" using weighted linear regression. The factor was 1/concentration.
- Preliminary study:
- In the course of the preliminary test, the test item proved to be hydrolytically unstable at pH 4 and pH 9. Concentration was decreased by about 48 % after 5 days at 50 °C. Thus main test was performed at pH 4 and pH 9 only.
- Transformation products:
- not measured
- % Recovery:
- 85
- St. dev.:
- 4
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 2 d
- % Recovery:
- 76
- St. dev.:
- 7
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 4 d
- % Recovery:
- 76
- St. dev.:
- 8
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 5 d
- % Recovery:
- 71
- St. dev.:
- 4
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 6 d
- % Recovery:
- 51
- St. dev.:
- 3
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 9 d
- % Recovery:
- 47
- St. dev.:
- 3
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 12 d
- % Recovery:
- 43
- St. dev.:
- 8
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 15 d
- % Recovery:
- 36
- St. dev.:
- 1
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 19 d
- % Recovery:
- 75
- St. dev.:
- 22
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 2 d
- % Recovery:
- 72
- St. dev.:
- 24
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 4 d
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- 236 d
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- 54 d
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.06 d-1
- DT50:
- 13 d
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.14 d-1
- DT50:
- 5 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 4
- Temp.:
- 55 °C
- Hydrolysis rate constant:
- 0 h-1
- DT50:
- 137 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 55 °C
- Hydrolysis rate constant:
- 0.02 h-1
- DT50:
- 48 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 4
- Temp.:
- 67 °C
- Hydrolysis rate constant:
- 0.02 h-1
- DT50:
- 47 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 67 °C
- Hydrolysis rate constant:
- 0.03 h-1
- DT50:
- 24 h
- Type:
- (pseudo-)first order (= half-life)
- Validity criteria fulfilled:
- yes
- Conclusions:
- The following half-lives of the test item were determined:
t 1/2 at 25 °C and pH 4: 236 days
t 1/2 at 50 °C and pH 4: 13 days
t 1/2 at 25 °C and pH 9: 54 days
t 1/2 at 50 °C and pH 9: 5 days - Executive summary:
The purpose of this study was to evaluate the hydrolysis of the test item at pH values of 4 and 9.
The calculated half lives of the test item hydrolysis reactions at pH 4 and pH 9 are given in the following table:
Buffer solution Temperature t 1/2 pH 4 25 °C 236 days pH 4 50 °C 13 days pH 9 25 °C 54 days pH 9 50 °C 5 days
Reference
Measured data at a temperature of 50 °C at pH 9
Recovery, % | St.dev. | pH | Temp. | Duration, days |
55 | 1 | 9 | 50 | 5 |
45 | 3 | 9 | 50 | 6 |
39 | 2 | 9 | 50 | 7 |
33 | 1 | 9 | 50 | 8 |
Measured data at a temperature of 55 °C at pH 4
Recovery, % | St.dev. | pH | Temp. | Duration, hours |
64 | 1 | 4 | 55 | 70 |
52 | 1 | 4 | 55 | 114 |
46 | 1 | 4 | 55 | 144 |
39 | 1 | 4 | 55 | 186 |
Measured data at a temperature of 67 °C at pH 4
Recovery, % | St.dev. | pH | Tem. | Duration, hours |
63 | 2 | 4 | 67 | 40 |
38 | 1 | 4 | 67 | 68 |
34 | 1 | 4 | 67 | 74 |
Measured data at a temperature of 55 °C at pH 9
Recovery, % | St.dev. | pH | Tem. | Duration, hours |
61 | 4 | 9 | 55 | 40 |
41 | 1 | 9 | 55 | 64 |
35 | 2 | 9 | 55 | 72 |
Measured data at a temperature of 67 °C at pH 9
Recovery, % | St. dev. | pH | Temp. | Duration, hours |
67 | 2 | 9 | 67 | 20 |
50 | 3 | 9 | 67 | 30 |
36 | 5 | 9 | 67 | 40 |
25 | 1 | 9 | 67 | 46 |
Rate constants and half-lives calculated at 25°C
Temperature, °C | pH | kobs | t 1/2 |
25 | 4 | 0.0001 | 5659 hours (236 days) |
25 | 9 | 0.0005 | 1299 (54 days) |
Description of key information
The purpose of this study was to evaluate the hydrolysis of the test item at pH values of 4 and 9. The calculated half-lives of the hydrolysis are, 236 days (5659 hours) at temperature 25 °C and pH 4.0, 13 days (305 hours) at temperature 50 °C and pH 4.0. 54 days (1299 hours) at temperature 25 °C and pH 9.0 and 5 days (122 hours) at temperature 50 °C and pH 9.0.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 1 299 h
- at the temperature of:
- 25 °C
Additional information
The hydrolysis was examined at the two different pH values 4.0 and 9.0 in the dark at different temperatures of 50 °C (± 0.5), 55 °C (± 0.5) and 67 °C (± 0.5). The hydrolysis reaction was carried out using a dark thermostat to avoid photolytic effects. Nitrogen was bubbled into the water for five minutes before the preparation of the solutions in order to exclude oxygen. The calculated half-lives of the hydrolysis are, 236 days (5659 hours) at temperature 25 °C and pH 4.0, 13 days (305 hours) at temperature 50 °C and pH 4.0. 54 days (1299 hours) at temperature 25 °C and pH 9.0 and 5 days (122 hours) at temperature 50 °C and pH 9.0.
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