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EC number: 221-110-7 | CAS number: 3006-82-4
- 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:
- 1996-09-23
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- The study is regarded as reliable with restrictions because it was not conducted in compliance with GLP regulation but data are comprehensive and scientifically acceptable. The test item is classified as organic peroxide Type C. In accordance with ECHA guidance IR/CSA chapter R.7a (version 4.1, October 2015) the testing with OECD standard method was not conducted. These studies were considered to be technically not possible as the substance will decompose during measurement and for safety reasons due to its explosive properties. To generate data in order to perform a risk assessment an alternative method using fast measurements under reduced pressure were conducted. These data were considered more reliable as compared to the alternative approach using QSAR estimation. In conclusion these data were regarded as reliable with restrictions.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: ASTM E1782 - 14 Standard Test Method for Determining Vapor Pressure by Thermal Analysis
- Deviations:
- not applicable
- Remarks:
- study was conducted before implementation of guideline
- Principles of method if other than guideline:
- In hermetic sealed containers with pinholes in the lid at a given temperature an equilibrium will be established between test item in the gas phase and in the condensed phase. As the test item is heated, the pressure exerted by the volatile component the vapour pressure increases. The material in a DSC pan is held at a constant pressure, and then there will be an endothermic heat flow associated with the condensed material entering the vapour phase. When this vapour pressure equals the external pressure on the vapour space, the liquid boils isothermally at that temperature. The applied pressure will be changed and the temperature at which boiling occurs changes a corresponding amount. The temperature range of the method is limited. The lower pressure limit depends on the capacity of the vacuum pump, the lower temperature limit of the DSC-apparatus (25 °C) or by the melting point of the test item. The upper limit depends on the thermal stability of the test item. Using the measured boiling temperatures at given vapour pressure a plot will be constructed in which the vapour pressure is related to the temperature. Form the measured data points of the vapour pressure curve the constants A, B and C of the Antoine equation are derived and the vapour pressure of the test item is calculated by extrapolation of the measured vapour pressure curve for the temperatures 20, 25 and 50 °C. The DSC was checked using the measuring onset temperature of fusion and the heat of fusion of Indium.
- GLP compliance:
- not specified
- Type of method:
- other: Vacuum Differential scanning calorimetry
- Temp.:
- 20 °C
- Vapour pressure:
- 2 Pa
- Remarks on result:
- other: extrapolated value from the Antoine equation
- Temp.:
- 25 °C
- Vapour pressure:
- 3 Pa
- Remarks on result:
- other: extrapolated value from the Antoine equation
- Temp.:
- 50 °C
- Vapour pressure:
- 36 Pa
- Remarks on result:
- other: extrapolated value from the Antoine equation
- Transition / decomposition:
- yes
- Remarks:
- The Self-Accelerating Decomposition Temperature (SADT) of the substances was determined to be 40°C at 1013.25 hPa. For details please refer to IUCLID section 4.23
- Transition temp.:
- >= 40 °C
- Conclusions:
- The vapour pressure of the test item tert.-Butylperoxy- 2-ethylhexanoat was determined to be 2 Pa at 20 °C, 3 Pa at 25 °C and 36 Pa at 50 °C respectively.
- Executive summary:
A study was conducted using Vacuum DSC to determine the vapour pressure of the test item. Using the vacuum DSC test, it was possible to handle the test item at temperatures above the SADT (please refer to IUCLID section 4.23 for more details about SADT) because very low amounts were used; the measurements were very fast and under reduced pressure. Vacuum DSC experiments were carried out at various constant pressure levels. Therefore approximately 10 mg product was weight into a 70 microliter aluminium cup with a pierced lid. The pressure of the oven was set to the desired pressure and was controlled by a pressure controller. The scan was started after reaching a constant pressure using a heating rate of 5 °C/min. During this scan, the product reached the boiling point at the set pressure and evaporated. A sudden increase in the endothermic effect related to the boiling of the test item was then obtained. After 6 scans in the temperature range of 65°C up to 96°C at different pressures (124 Pa up to 1011 Pa) a plot was constructed in which the vapour pressure is related to the temperature. Form the measured data points of the vapour pressure curve the constants A, B and C of the Antoine equation were derived and the vapour pressure of the test item was calculated by extrapolation of the measured vapour pressure curve for the temperatures 20, 25 and 50 °C. The vapour pressure of the test item tert.-Butylperoxy- 2-ethylhexanoat was determined to be 2 Pa at 20 °C, 3 Pa at 25 °C and 36 Pa at 50 °C respectively. No observations were made which caused any doubt on the validity of the test data.
Reference
Table 1 Vacuum DSC results of test item
Measured |
Calculated after fit |
|
pressure (mbar) |
T boiling point (°C) |
pressure (mbar) |
1.24 |
65.4 |
1.22 |
1.99 |
72.0 |
1.97 |
4.11 |
83.6 |
4.32 |
6.15 |
89.43 |
6.22 |
7.56 |
92.6 |
7.56 |
10.11 |
96.9 |
9.74 |
Please refer to the attached Illustration for a p,T-diagram
Two fits were done on the set data points.
Antoine :
Log(p) = A – B/(C+T) or p= 10 ^ {A-B/(C+T)} where
A,B and C : constants
p: pressure (mbar)
T: temperature in K
Table 2 Fit parameters for test item in temperature range: 65°C to 96°C.
fit model |
constant A |
constant B |
constant C |
Antoine |
7.6411 |
1755.28 |
-106.20 |
Example (for T = 350 K): p= 10 ^{7.6411-1755.28/(350-106.20)} = 2.76 mbar
Table 3 pressure table
Temperature (°C) |
Pressure (mbar) |
|
20 |
0.02 |
extrapolation |
25 |
0.03 |
extrapolation |
30 |
0.05 |
extrapolation |
40 |
0.14 |
extrapolation |
50 |
0.36 |
extrapolation |
60 |
0.81 |
extrapolation |
70 |
1.71 |
interpolation |
80 |
3.41 |
interpolation |
90 |
6.46 |
interpolation |
100 |
11.6 |
extrapolation |
Description of key information
The vapour pressure of the test item tert.-Butylperoxy- 2-ethylhexanoat was determined to be 2 Pa at 20 °C, 3 Pa at 25 °C and 36 Pa at 50 °C respectively.
Key value for chemical safety assessment
- Vapour pressure:
- 2 Pa
- at the temperature of:
- 20 °C
Additional information
Waiving of the OECD / EU standard method
In accordance with ECHA guidance IR/CSA chapter R.7a (version 4.1, October 2015) the testing with OECD standard method was not conducted. Standard testing according to these guidelines was considered to be technically not feasible as the substance will decompose during measurement and for safety reasons due to its explosive properties. To generate data in order to perform a risk assessment an alternative method using fast measurements under reduced pressure was conducted. These data were considered more reliable as compared to the alternative approach using QSAR estimation. Thus, no vapour pressure data in accordance with OECD TG 104 is available.
Determination of the vapour pressure using vacuum DSC (Differential Scanning Calorimetry)
A study was conducted using Vacuum DSC to determine the vapour pressure of the test item. Using the vacuum DSC test, it was possible to handle the test item at temperatures above the SADT (please refer to IUCLID section 4.23 for more details about SADT) because very low amounts were used; the measurements were very fast and under reduced pressure. Vacuum DSC experiments were carried out at various constant pressure levels. Therefore approximately 10 mg product was weight into a 70 microliter aluminium cup with a pierced lid. The pressure of the oven was set to the desired pressure and was controlled by a pressure controller. The scan was started after reaching a constant pressure using a heating rate of 5 °C/min. During this scan, the product reached the boiling point at the set pressure and evaporated. A sudden increase in the endothermic effect related to the boiling of the test item was then obtained. After 6 scans in the temperature range of 65°C up to 96°C at different pressures (124 Pa up to 1011 Pa) a plot was constructed in which the vapour pressure is related to the temperature. Form the measured data points of the vapour pressure curve the constants A, B and C of the Antoine equation were derived and the vapour pressure of the test item was calculated by extrapolation of the measured vapour pressure curve for the temperatures 20, 25 and 50 °C. The vapour pressure of the test item tert.-Butylperoxy- 2-ethylhexanoat was determined to be 2 Pa at 20 °C, 3 Pa at 25 °C and 36 Pa at 50 °C respectively. No observations were made which caused any doubt on the validity of the test data.
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