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EC number: 269-847-3 | CAS number: 68345-17-5
- 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 2014-05-19 to 2014-07
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- GLP compliance:
- no
- Remarks:
- The study was not performed according to GLP principles.
- Radiolabelling:
- yes
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products: In Series 1 samples were taken after 0, 0.5, 1, 1.5, 2, 3, 4 and 6 h at pH 9.2 and after 0, 0.5, 1, 1.5, 2 and 3 h at pH 2.2, in Series 2 samples were taken after 0, 0.5, 1, 1.5, 2, 3.5, 4 and 6 h at pH 9.2, after 0, 0.5, 1, 1.5, 2, 3, 4 and 6 h at pH 7.5, after 0, 0.5, 1, 1.5, 2, 2.5, 3, 4, 5 and 6 h at pH 4.0 and after 0, 0.5, 1, 2, 3, 4 and 6 h at pH 2.2. In Series 2b samples were taken after 0, 0.25, 0.5, 0.75, 1 and 1.25 h at pH 2.2. In Series 3 samples were taken after 0, 0.25, 0.5, 0.75, 1, 1.25, 1.5, 1.75 and 2 h at pH 2.2. In Series 4 samples were taken after 0, 3 and 6 h at pH 9.2 an 4.
- Sampling method: At each sampling time point 20 µL aliquots were removed (one aliquot from a fresh vial) and analyzed by HPLC - Buffers:
- pH 2.2: 98.8 % 0.1 mol/L citric acid monohydrate + 1.2 % 0.2 mol/L disodium hydrogen
phosphate
pH 4.5: 56.4 % 0.1 mol/L citric acid monohydrate + 43.6 % 0.2 mol/L disodium hydrogen
phosphate
pH 7.5: 19.0 % 0.1 mol/L citric acid monohydrate + 81 % 0.2 mol/L disodium hydrogen
phosphate
pH 9.2: 10.0 % 0.1 mol/L sodium carbonate + 90.0 % 0.1 mol/L sodium hydrogen carbonate - Details on test conditions:
- Stock solution: 50 µL of the test item solution in ethanol was added to 450 µL ethanol. The resulting test item concentration was 3.37 mmol/L. The concentration corresponded to 3.975 MBq/mL or 238500 dpm/ µL.
Series 1
50 µL of the stock solution was added to 450 µL buffer and immediately 50 µL aliquots were distributed into 8 individual conical HPLC vials. The HPLC vials were crimp capped with a PTFE seal and placed into the HPLC autosampler thermostatted at 37 °C.
Series 2 and 3
50 µL of the stock solution was added to 450 µL buffer and immediately about 400 - 450 µL was filled into one conical HPLC vial. The HPLC vials were crimp capped with a PTFE seal and placed into the HPLC autosampler thermostatted at 37 °C.
Series 4
40 µL aliquots of the stock solution were added into 3 20 mL headspace vials containing 960 µL buffer. The HPLC vials were crimp capped with a PTFE seal and placed into the HPLC autosampler thermostatted at 37 °C. - Duration:
- 6 h
- pH:
- 2.2
- Temp.:
- 37 °C
- Initial conc. measured:
- 0.13 mmol/L
- Remarks:
- Series 3
- Duration:
- 6 h
- pH:
- 2.2
- Temp.:
- 37 °C
- Initial conc. measured:
- 0.13 mmol/L
- Remarks:
- Series 2
- Duration:
- 6 h
- pH:
- 4
- Temp.:
- 37 °C
- Initial conc. measured:
- 0.13 mmol/L
- Remarks:
- Series 2
- Duration:
- 6 h
- pH:
- 7.5
- Temp.:
- 37 °C
- Initial conc. measured:
- 0.13 mmol/L
- Remarks:
- Series 2
- Duration:
- 6 h
- pH:
- 9.2
- Temp.:
- 37 °C
- Initial conc. measured:
- 0.13 mmol/L
- Remarks:
- Series 2
- Number of replicates:
- 3 test series at pH 9.2
4 test series at pH 2.2
2 test series at pH 4.0
1 test series at pH 7.5 - Transformation products:
- yes
- No.:
- #1
- pH:
- 2.2
- Temp.:
- 37 °C
- Hydrolysis rate constant:
- 2.553 h-1
- DT50:
- 0.27 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 2.2
- Temp.:
- 37 °C
- Hydrolysis rate constant:
- 1.95 h-1
- DT50:
- 0.36 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 4
- Temp.:
- 37 °C
- Hydrolysis rate constant:
- 0.292 h-1
- DT50:
- 2.37 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7.5
- Temp.:
- 37 °C
- Hydrolysis rate constant:
- 0.203 h-1
- DT50:
- 3.41 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 9.2
- Temp.:
- 37 °C
- Hydrolysis rate constant:
- 0.239 h-1
- DT50:
- 2.9 h
- Type:
- (pseudo-)first order (= half-life)
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Test was not performed according to a test guideline therefore no specific validity criteria were specified. Nevertheless, the test was performed according to generally accepted scientific standards and described in sufficient detail. Therefore, the test
- Conclusions:
- The substance was hydolysed under all tested pH conditions with a tendency of more rapid hydrolysis at basic and acidic pH values.
- Executive summary:
The results from all experiments showed that DMOE Ac was hydrolyzed to DMOE under physiological conditions, i.e. at the pH range of pH 2.2 – 9.2. The hydrolysis rate was lowest at pH 7.5 and higher under basic or acidic conditions: Below pH 7.5 the hydrolysis rate was inversely related to the pH: the lower the pH, the higher the rate. Besides DMOE no other reaction products were detected. Incubations at 37 °C yielded a significant loss of compounds into the gas phase. This loss was dependent on the geometry of the incubation system, e.g. at the ratio of gas to aqueous phase. Even by optimization of this ratio and using a closed system, volatilization could not be completely avoided. Measurement of the two compounds in the gas phase by headspace MS confirmed that DMOE Ac is much more volatile than DMOE in aqueous solutions. The corresponding half-lifes for hydrolysis were determined to be 0.36 h, 2.37 h, 3.41 h and 2.9 h at 37 °C and pH of 2.2, 4, 7.5 and 9.2, respectively.
Reference
Description of key information
The substance was hydolysed under all tested pH conditions with a tendency of more rapid hydrolysis at basic and acidic pH values.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 3.41 h
- at the temperature of:
- 37 °C
Additional information
The results from all experiments showed that DMOE Ac was hydrolyzed to DMOE under physiological conditions, i.e. at the pH range of pH 2.2 – 9.2. The hydrolysis rate was lowest at pH 7.5 and higher under basic or acidic conditions: Below pH 7.5 the hydrolysis rate was inversely related to the pH: the lower the pH, the higher the rate. Besides DMOE no other reaction products were detected. Incubations at 37 °C yielded a significant loss of compounds into the gas phase. This loss was dependent on the geometry of the incubation system, e.g. at the ratio of gas to aqueous phase. Even by optimization of this ratio and using a closed system, volatilization could not be completely avoided. Measurement of the two compounds in the gas phase by headspace MS confirmed that DMOE Ac is much more volatile than DMOE in aqueous solutions. The corresponding half-lifes for hydrolysis were determined to be 0.36 h, 2.37 h, 3.41 h and 2.9 h at 37 °C and pH of 2.2, 4, 7.5 and 9.2, respectively.
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