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EC number: 427-820-5 | CAS number: 2701-50-0 1,2-METHYLEN-4,6-DIENACETAT
- 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:
- 5 Jul - 14 Oct 1994
- 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:
- 92/69/EEC
- Deviations:
- no
- GLP compliance:
- yes
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Remarks:
- HPLC UV
- Buffers:
- pH: 4
- Type: acetate buffer, 0.05 M
- Composition of buffer:
0.67 g = 0.008 mole sodium acetate p.a Merck, Art. 6268 (M = 82.03 g/mol) were dissolved to 1000 ml with double distilled
water. The pH value was adjusted to 4 by adding 2.4 ml = 0.04 mole acetic acid 100 % p.a. (Merck, Art. 63 E).
- pH: 7
- Type: phosphate buffer, 0.05 M
- Composition of buffer:
4.34 g = 0.031 mole disodium hydrogen phosphate, Merck, Art. 6589 (M = 141.96 g/mol)
2.64 g = 0.019 mole potassium dihydrogen phosphate, Merck, Art. 4881 (M = 136.09 g/mol) were dissolved to 1000 ml with double distilled water.
- pH: 9
- Type: borate buffer, 0.05 M
- Composition of buffer:
4.76 g = 0.012 mole disodium tetraborate, Merck, Art. 6315 (M = 381.37 g/mol)
46 mL = 0.0046 mole 0.1 M hydrochloric acid Titrisol, Merck, Art. 9944 (M = 36.46 g/mol) were dissolved to 1000 ml with double distilled water.- Details on test conditions:
- Preparation of the test solution:
- 3 test solutions, buffered to pH values of 4, 7 and 9
- each with a test substance concentration of approx. 1 mg/L am containing 1 % acetonitrile
- The buffer solution was equilibrated at 50 °C for one hour and then purged with nitrogen to remove dissolved oxygen.
- All experiments were performed using sterilized equipment, buffer solutions and double distilled water. - Duration:
- 7 h
- pH:
- 9
- Temp.:
- 80 °C
- Initial conc. measured:
- 1 mg/L
- Duration:
- 96.3 h
- pH:
- 9
- Temp.:
- 60 °C
- Initial conc. measured:
- 1 mg/L
- Remarks:
- Solution II
- Duration:
- 96.5 h
- pH:
- 9
- Temp.:
- 60 °C
- Initial conc. measured:
- 1 mg/L
- Remarks:
- Solution I
- Duration:
- 168 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 1 mg/L
- Duration:
- 168 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 1 mg/L
- Duration:
- 168 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 1 mg/L
- Positive controls:
- no
- Negative controls:
- no
- Preliminary study:
- A preliminary study was performed and the results indicate that the test substance is hydrolytically stable at pH 4 and pH 7 therefore no further studies were performed for these pH values. At pH 9, more than 10 % decay of the test substance was measured within 5 days at 50 °C.
- Transformation products:
- not measured
- % Recovery:
- 15.4
- St. dev.:
- 1.379
- pH:
- 9
- Temp.:
- 80 °C
- Duration:
- 7 h
- Remarks on result:
- other: Preliminary test: hydrolytically not stable
- % Recovery:
- 88
- St. dev.:
- 1.099
- pH:
- 9
- Temp.:
- 60 °C
- Duration:
- 96.3 h
- Remarks on result:
- other: Preliminary test: hydrolytically not stable; Solution II
- % Recovery:
- 8.5
- St. dev.:
- 1.053
- pH:
- 9
- Temp.:
- 60 °C
- Duration:
- 96.5 h
- Remarks on result:
- other: Preliminary test: hydrolytically not stable; Solution I
- % Recovery:
- 29
- St. dev.:
- 0.041
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 168 h
- Remarks on result:
- other: Preliminary test: hydrolytically not stable
- % Recovery:
- 96
- St. dev.:
- 0.201
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 168 h
- Remarks on result:
- hydrolytically stable based on preliminary test
- % Recovery:
- 98.1
- St. dev.:
- 0.079
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 168 h
- Remarks on result:
- hydrolytically stable based on preliminary test
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 h-1
- DT50:
- 138 d
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 50 °C
- Remarks on result:
- hydrolytically stable based on preliminary test
- Key result
- pH:
- 4
- Temp.:
- 50 °C
- Remarks on result:
- hydrolytically stable based on preliminary test
- Validity criteria fulfilled:
- yes
- Remarks:
- See 'Any other information on results incl. tables'
- Conclusions:
- The rate of hydrolysis of the test substance was determined at pH 4, 7 and 9. The test substance is hydrolytically stable at pH values 4 and 7 at 25 °C. The half-life at pH 9, 25°C was extrapolated from measurements at elevated temperatures using the Arrhenius equation and the experimental data to be 137.9 days.
- Executive summary:
The study was conducted to assess the rate of hdrolysis. The study was conducted in accordance with EEC Method for "determination of the hydrolysis", Directive 92/69/EEC, method A.7. The rate of hydrolysis of the test substance was determined at pH 4, 7 and 9. The test substance is hydrolytically stable at pH values 4 and 7 at 25 °C. The half-life at pH 9 (25°C) was extrapolated from measurements at elevated temperatures using the Arrhenius equation to be 137.9 days.
Reference
For further investigation of the hydrolysis at pH 9, hydrolysis experiments were conducted at temperatures of 60° and 80 °C with replication at 60 °C to extrapolate from the experimentally determined rate constants at the elevated temperatures to the rate constant at 25 °C.
The rate constant of the test substance at pH 9 and 25 °C was calculated by applying the Arrhenius equation. The extrapolated first-order rate constant k and half-life t1/2 and confidence intervals for k and t1/2 are shown in the table behind.
pH | k [h-1] | 95% confidence intervals for k [h-1] | t 1/2 [h] | 95% confidence intervals for t 1/2 [h] | t 1/2 [d] | 95% confidence intervals for t 1/2 [d] |
9 | 2.095*10-4 | 2.029*10-4 – 2.160*10-4 | 3309.2 | 3209.4 -.3415.5 | 137.9 | 133.7 -142.3 |
Validity criteria for the hydrolysis study:
Target condition according to guideline: | Actual condition according to the study: | Validity criteria met: |
The analytical method used will depend on the nature of the substance and must be sufficiently precise and sensitive to detect a reduction of 10 % of the initial concentration. | Analysis via HPLC-UV is senstive enough to detect a reduction of 10% of the initial concentration. | Yes |
A sufficient number of samples (not less than four) should be chosen to cover the range 20 to 70 % of hydrolysis to test for pseudo-first order behaviour at the specified pH values. | pH 4 (50°C): 2 measurements pH 7 (50°C): 2 measurements pH 9 (50°C): 2 measurements pH 9 (60°C): 2 measurements pH 9 (80°C): 1 measurement
| Yes |
The method must be specific to allow determination of the test substance at the test solution concentrations and may well consist of some combination of suitable analytical techniques. | The test substance was determined by HPLC-UV detection at 290 nm. Chromatograms of the test and calibration solutions demonstrate the specificity of the method. | Yes |
Description of key information
The study was conducted to assess the rate of hydrolysis. The study was conducted in accordance with EEC Method for "determination of the hydrolysis", Directive 92/69/EEC, method A.7. The rate of hydrolysis of the test substance was determined at pH 4, 7 and 9. The test substance is hydrolytically stable at pH values 4 and 7 at 25 °C. The half-life at pH 9 (25 °C) was extrapolated from measurements at elevated temperatures using the Arrhenius equation to be 137.9 days.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 138 d
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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