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Reaction mass of (1RS)-1-[(1RS)-3,3-dimethylcyclohexyl]ethyl [(2RS,3RS)-3-ethyloxiran-2-yl]acetate and (1RS)-1-[(1RS)-3,3-dimethylcyclohexyl]ethyl [(2SR,3SR)-3-ethyloxiran-2-yl]acetate and (1RS)-1-[(1SR)-3,3-dimethylcyclohexyl]ethyl [(2RS,3RS)-3-ethyloxiran-2-yl]acetate and (1RS)-1-[(1SR)-3,3-dimethylcyclohexyl]ethyl [(2SR,3SR)-3-ethyloxiran-2-yl]acetate
EC number: 950-412-8 | 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
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 19-08-2014 to 19-11-2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study performed under GLP. All relevant validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: OECD Test Guideline 113 (1981) Screening Test for Thermal Stability and Stability in Air
- Deviations:
- not specified
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EPA OPPTS 830.7950 (Vapor Pressure)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- inspected: January 2013; signature: March 2013
- Type of method:
- effusion method: vapour pressure balance
- Remarks:
- Further testing was done incorporating: 1. Thermal Stability (DSC) and 3. Dynamic Method
- Temp.:
- 20 °C
- Vapour pressure:
- 0.013 Pa
- Temp.:
- 25 °C
- Vapour pressure:
- 0.029 Pa
- Temp.:
- 50 °C
- Vapour pressure:
- 0.86 Pa
- Conclusions:
- The vapour pressure of the test item was determined to be at 20°C: 0.013 Pa and at 25°C: 0.029 Pa respectively, calculated by interpolation and extrapolation within the measured vapour pressure curve from the vapour pressure balance and the dynamic method measurements
- Executive summary:
The vapour pressure was determined by combining the results of the the Effusion Method: vapour pressure balance and dynamic methods as listed within in EU Method A.4 and OECD TG 104 conducted under GLP. For comparison the measured vapour pressures of both methods are combined the vapour pressure was evaluated with all measured data points and the Antoine constants were determined. From the measured data points on the vapour pressure curve the measured constants of the Antoine equation were determined as: A = 8.2895; B = -1393.12 and C = 116.71. The vapour pressure of the test item was calculated by interpolation and extrapolation of the measured vapour pressure curve from the vapour pressure balance and the dynamic method measurements, for the temperatures 20, 25 and 50 °C. The vapour pressure of the test item was determined to be at 20°C: 0.013 Pa, 25°C: 0.029 Pa, and 50°C: 0.86 Pa, respectively.
Reference
Thermal Stability
The DSC run in a closed glass crucible under an inert atmosphere was determined. In the temperature range of 260 – 300 °C an exothermic effect can be observed, with a decomposition energy of greater than -30 J/g. The test was terminated at the maximum measured temperature of 300 °C.
Effusion method: Vapour Pressure Balance
The vapour pressure was measured in the temperature range of 28 to 53 °C. The measured vapour pressure values together with the measured temperatures are listed.
Table 1.0 : Results of the Effusion method
No. |
Temperature / °C |
Vapour Pressure / Pa |
1 |
28 |
0.046 |
2 |
33 |
0.123 |
3 |
38 |
0.209 |
4 |
42 |
0.338 |
5 |
48 |
0.563 |
6 |
53 |
1.074 |
7 |
53 |
0.706 |
8 |
42 |
0.337 |
At a temperature of 53 °C a variation of the evaporation rate was observed during the measurement. For control a second measurement was performed at this temperature, resulting in a decline of the vapour pressure. This may be attributed to the loss of a volatile components. The orifice was opened for three hours to remove the last traces of the volatile component. Since no significant change was observed after three hours, the test was aborted, and the test item was cooled down and kept under vacuum overnight. The orifice was opened during this time. On the next day a control measurement was performed at temperature of 42 °C, leading to an identical vapour pressure as within the definitive test. Due to these observations the vapour pressure was additionally measured using the dynamic method.
Dynamic Method: Vapour-Liquid Equilibrium (VLE)
The vapour pressure was measured in the temperature range of 139.1 to 215.8 °C.
Table 2.0 : Results of the Dynamic Method
No. |
Temperature / °C |
Vapour Pressure / Pa #1 |
Remark |
1 |
139.1 |
1100 |
Measured up |
2 |
160.1 |
2000 |
Measured up |
3 |
186.6 |
4000 |
Measured up |
4 |
199.3 |
6000 |
Measured up |
5 |
208.5 |
8000 |
Measured up |
6 |
215.8 |
10000 |
Measured up |
7 |
198.3 |
7000 |
Measured down |
8 |
187.1 |
5000 |
Measured down |
9 |
167.3 |
3000 |
Measured down |
10 |
139.5 |
1500 |
Measured down |
#1: VP is reported as Pa, converted from the reported hPa units within the full study report.
During the determination, the test item gradually changed its colour form colourless to light green, starting at a temperature of about 200 °C. This effect was also accompanied by a change in the vapour pressure, which is shown by the data points measured with decreasing pressure (measured down).
For comparison the measured vapour pressures of both methods are combined the vapour pressure was evaluated with all measured data points and the Antoine constants were determined. From the measured data points on the vapour pressure curve the measured constants of the Antoine equation were determined as: A = 8.2895; B = -1393.12 and C = 116.71. The vapour pressure of the test item was calculated by interpolation and extrapolation of the measured vapour pressure curve from the vapour pressure balance and the dynamic method measurements, for the temperatures 20, 25 and 50 °C.
Description of key information
Vapour Pressure: 0.029 Pa at 25 °C, EU Method A.4 – vapour pressure balance and dynamic methods, 2014
Key value for chemical safety assessment
- Vapour pressure:
- 0.029 Pa
- at the temperature of:
- 25 °C
Additional information
The vapour pressure was determined by combining the results of the the Effusion Method: vapour pressure balance and dynamic methods as listed within in EU Method A.4 and OECD TG 104 conducted under GLP. For comparison the measured vapour pressures of both methods are combined the vapour pressure was evaluated with all measured data points and the Antoine constants were determined. From the measured data points on the vapour pressure curve the measured constants of the Antoine equation were determined as: A = 8.2895; B = -1393.12 and C = 116.71. The vapour pressure of the test item was calculated by interpolation and extrapolation of the measured vapour pressure curve from the vapour pressure balance and the dynamic method measurements, for the temperatures 20, 25 and 50 °C. The vapour pressure of the test item was determined to be at 20°C: 0.013 Pa, 25°C: 0.029 Pa, and 50°C: 0.86 Pa, respectively.
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