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EC number: 271-272-8 | CAS number: 68527-63-9
- 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:
- 2021-09-23 to 2021-12-29
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- Adopted: 13 April 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- lot number of test material: 10419
- Purity: 93%
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Dry and dark at ambient temperature (20 – 30 °C)
Date of Manufacture: 23/04/2021
- Expiry Date: 23/04/2023 - Radiolabelling:
- no
- Analytical monitoring:
- not specified
- Details on sampling:
- - Sampling intervals for the parent/transformation products:
- Sampling method:
- Sampling methods for the volatile compounds, if any:
- Sampling intervals/times for pH measurements:
- Sampling intervals/times for sterility check:
- Sample storage conditions before analysis:
- Other observation, if any (e.g.: precipitation, color change etc.): - Buffers:
- - pH:
pH 4: An aliquot of 4.0 mL of 0.1 N sodium hydroxide solution and 500.0 mL of 0.1 M potassium biphthalate solution was transferred into a 1000 mL volumetric flask and the volume was made up to the mark using Milli-Q water. The pH of the resulting buffer solution was found to be 4.00.
An aliquot of 4.0 mL of 0.1 N sodium hydroxide solution and 500.0 mL of 0.1 M potassium biphthalate solution was transferred into a 1000 mL volumetric flask and the volume was made up to the mark using Milli-Q water. The pH of the resulting buffer solution was found to be 4.01.
pH 7:
An aliquot of 889.90 mL of 0.1 N sodium hydroxide solution and 1500.0 mL of 0.1 M potassium phosphate solution was diluted to 3000 mL with Milli-Q water. The pH of the resulting buffer solution was found to be 7.00.
An aliquot of 296.30 mL of 0.1 N sodium hydroxide solution and 500.0 mL of 0.1 M potassium phosphate solution was transferred into a 1000 mL volumetric flask and the volume was made up to the mark using Milli-Q water.
The pH of the resulting buffer solution was found to be 7.00.
pH 9:
An aliquot of 639.0 mL of 0.1 N sodium hydroxide solution and 1500.0 mL of 0.1 M boric acid solution was diluted to 3000 mL with Milli-Q water. The pH of the resulting buffer solution was found to be 9.01.
An aliquot of 213.0 mL of 0.1 N sodium hydroxide solution and 500.0 mL of 0.1 M boric acid solution was transferred into a 1000 mL volumetric flask and the volume was made up to the mark using Milli-Q water. The pH of the resulting buffer solution was found to be 9.01.
- Type and final molarity of buffer: 0.1 M - Details on test conditions:
- TEST SYSTEM
- Sterilisation method: The glassware (before use), Milli-Q water and prepared buffer solutions were sterilized by autoclaving at 121.0 °C for about 15 minutes and filtered by passing through 0.2 μm sterilized filter and oxygen in the solutions was excluded by sonication for five minutes.
- Measures taken to avoid photolytic effects: The prepared test item solutions taken in test tubes covered with aluminium foil and kept in dark incubator in order to avoid photolytic effects
- Measures to exclude oxygen: Bubbled with nitrogen to avoid oxygen.
TEST MEDIUM
- Kind and purity of water: Milli-Q water - Number of replicates:
- The test item was fortified in three different buffer solutions of pH 4, 7 and 9 at two different levels in five replicates.
- Positive controls:
- no
- Negative controls:
- no
- Remarks:
- blank solutions
- Preliminary study:
- The preliminary test results revealed that the rate of hydrolysis (percent degradation) of the test item after 5 days of incubation at 50 ± 0.5 °C was 21.67 % in pH 4 buffer, 71.06 % in pH 7 buffer and 92.82 % in pH 9 buffer, respectively. Based on the Tier 1 test results, the test item was considered as hydrolytically unstable as more than 10 % hydrolysis were obtained in pH 4, pH 7 and pH 9 buffers at 50 ± 0.5 °C after 5 days.
- Transformation products:
- not measured
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.01 d-1
- DT50:
- 71.44 d
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.061 d-1
- DT50:
- 11.38 d
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.151 d-1
- DT50:
- 4.58 d
- Details on results:
- At pH 4, 7 and 9, the total rate constant and half-life of the reactions at 25 ºC was calculated and found to be 0.2218 day-1 and 3.12 days, respectively.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The results show that the hydrolytic degradation of the test item under sterile conditions strongly depends on the temperature and the pH value.
In Tier 2 test, the hydrolysis of the test item was investigated as a function of pH (4, 7 and 9) at three temperatures of 20 ± 0.5 °C, 35 ± 0.5 °C and 50 ± 0.5 °C respectively.
At pH 4, the rate constant and half-life of the reactions at 25 ºC was calculated and found to be 0.0097 day-1 and 71.44 days, respectively.
At pH 7, the rate constant and half-life of the reactions at 25 ºC was calculated and found to be 0.0609 day-1 and 11.38 days, respectively.
At pH 9, the rate constant and half-life of the reactions at 25 ºC was calculated and found to be 0.1512 day-1 and 4.58 days, respectively.
At pH 4, 7 and 9, the total rate constant and half-life of the reactions at 25 ºC was calculated and found to be 0.2218 day-1 and 3.12 days, respectively. - Executive summary:
The hydrolysis of Diethyl sulphate, compound with 2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazole-1-ethanol (1:1) as a function of pH in sterile aqueous buffer solutions of pH 4, 7 and 9 was carried out according to OECD guideline 111. The hydrolysis of the test item was analyzed by analyzing the analyte concentration at the predetermined intervals by the validated HPLC method.
At pH 4, 7 and 9, the total rate constant and half-life of the reactions at 25 ºC was calculated and found to be 0.2218 day-1 and 3.12 days, respectively.
Reference
Description of key information
In Tier 2 test, the hydrolysis of the test item was investigated as a function of pH (4, 7 and 9) at three temperatures of 20 ± 0.5 °C, 35 ± 0.5 °C and 50 ± 0.5 °C respectively.
At pH 4, the rate constant and half-life of the reactions at 25 ºC was calculated and found to be 0.0097 day-1 and 71.44 day, respectively.
At pH 7, the rate constant and half-life of the reactions at 25 ºC was calculated and found to be 0.0609 day-1 and 11.38 day, respectively.
At pH 9, the rate constant and half-life of the reactions at 25 ºC was calculated and found to be 0.1512 day-1 and 4.58 day, respectively.
At pH 4, 7 and 9, the total rate constant and half-life of the reactions at 25 ºC was calculated and found to be 0.2218 day-1 and 3.12 day, respectively.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 3.12 d
- at the temperature of:
- 25 °C
Additional information
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