Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 252-029-5 | CAS number: 34443-12-4
- 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:
- 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Detailed report, by using the ASTM E1782-03 method
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- other: ASTM E1782-03
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- other: DSC (differential scanning calorimetry)
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- The vapour pressure of the substance is determined to be close to 0.000001Pa at 25°C .
With DSC method, the impurities more volatile than the substance are evaporated, and thus, will not affect the vapour pressure determination. - Executive summary:
A detailed study report on the measurement of vapour pressures according to ASTM E-1782 -03 is available. The relationship between vapour pressure and temperature was established with the Clausius-Clapeyron equation.
With this method, the volatile impurities do not have an effect on the vapour pressure determination
The vapour pressure of OO-tert-butyl O-(2-ethylhexyl) peroxycarbonate is determined to be close to 10-8 mbars at 25°C. However, this value may be underestimated due to decomposition that occured during the testing. Thus, a calculated value (with EPISUITE) was needed to confirm that the substance has a low vapour pressure and a very low fugacity.
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study, with detailed report
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- static method
- Temp.:
- 20 °C
- Vapour pressure:
- 13.6 mBar
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 16.9 mBar
- Conclusions:
- The vapour pressure of the test material is determined to be 16.9 mbars, or 1690 Pa, at 25°C.
The test material contains volatile impurity (tert-butyl hydroperoxide) that may have affected the vapour pressure determination (small amounts of volatile impurities may increase the vapour pressure by several orders of magnitude) - Executive summary:
A guideline and well detailed study is available. The vapour pressure of the substance was measured using the static method. The relationship between vapour pressure and temperature was established with the Clausius-Clapeyron equation.
The vapour pressure of the test material is determined to be 16.9 mbars, or 1690 Pa, at 25°C. The presence of volatile impuritiy (tert-butyl hydroperoxide, with vapour pressure ~50hPa) may have increased the vapour pressure.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
- Principles of method if other than guideline:
- Method: estimated by calculation with MPBPWIN v1.43
- GLP compliance:
- no
- Type of method:
- other:
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0.57 Pa
- Conclusions:
- The vapour pressure of OO-tert-butyl O-(2-ethylhexyl) peroxycarbonate was estimated with EPISUITE Software (MPBPWIN v1.43). The vapour pressure value is 0.57 Pa at 25°C.
- Executive summary:
In order to confirm the data determined by DSC method, the vapour pressure was estimated with EPISUITE software.
The calculated data confirms the substance has a low vapour pressure, and thus a very low potential of fugacity.
Referenceopen allclose all
Measured Temperature (°C) |
Pressure (mbars) |
Pressure-corrected temperature (°C) |
120.09 |
4 |
115.53 |
121.49 |
7 |
118.65 |
123.33 |
10 |
121.23 |
130.33 drift of the signal |
13 |
128.65 (drift of the signal – |
Decomposition detected |
18 |
Decomposition detected |
Data treatment to establish Clausius-Clapeyron relationship leads to the following data.
Pression P |
Ln(P) |
Onset Temperature (°C) |
Pressure-corrected temperature (°C) |
T (K) |
-1/T |
0.004 |
-5.52146092 |
120.09 |
115.53 |
388.53 |
-0.00257384 |
0.007 |
-4.96184513 |
121.49 |
118.65 |
391.65 |
-0.00255329 |
0.010 |
-4.60517019 |
123.33 |
121.23 |
394.23 |
-0.00253657 |
The Clausius-Clapeyron equation resulting is:
y = 24685x + 58.029 (correlation coefficient R2= 0.9954)
with y= ln(P)
x= -1/T
Extrapolated data – with high uncertainty- at 20°C and 25°C are :
-Pressure vapour at 20°C is determined to 4 10-9mbars ;
-Pressure vapour at 25°C is determined to 1.7 10-8mbars.
Temperature (°C) | Pressure (mbar) |
18,5 | 12,4 |
19,8 | 13,4 |
21,1 | 14,4 |
23,1 | 15,6 |
24,1 | 16,6 |
26,1 | 18 |
27,1 | 18,7 |
28,7 | 19,9 |
30,6 | 21,4 |
33,3 | 23,5 |
The Clausius-Clapeyron equation resulting is:
Ln (P[mbar]) = 3,8487 *(-1000/T[K]) + 15,744 (correlation coefficient R2=0,9957)
Extrapolated data at 20°C and 25°C are :
- pressure vapour at 20°C is determined to 13.6 mbar s ;
- pressure vapour at 25°C is determined to 16.9 mbar s.
CAS Number: 34443-12-4
SMILES : CCCCC(CC)COC(=O)OOC(C)(C)C
CHEM : OO-tert-butyl O-(2-ethylhexyl) peroxycarbonate
MOL FOR: C13 H26 O4
MOL WT : 246.35
Vapor Pressure Estimations (MPBPVP v1.43):
VP(mm Hg,25 deg C): 0.00431 (Modified Grain method)
VP (Pa, 25 deg C) : 0.574 (Modified Grain method)
Description of key information
The vapour pressure of the substance is <1 Pa at 25 °C (using DSC method, in order to limit the effect of volatile impurities on the vapour pressure determination; in line with calculated value).
Key value for chemical safety assessment
- Vapour pressure:
- 1 Pa
- at the temperature of:
- 25 °C
Additional information
Well detailed studies are available.
The vapour pressure was firstly determined with static method. The vapour pressure was determined to be 16,9hPa at 25°C, but the presence of a volatile impurity (tert-butyl hydroperoxide, vapour pressure ~50hPa) may have affected the vapour pressure determination (small amounts of volatile impurities may increase the vapour pressure by several orders of magnitude).
The DSC method was then used, and the vapour pressure was determined to be 0.000001 Pa at 25°C (more representative of the substance as impurities more volatile than the substance are evaporated). The vapour pressure determined by DSC may be understimated, due to decomposition that occured during the test.
In both methods, the relationship between vapour pressure and temperature was fitted with the Clausius-Clapeyron equation.
In order to confirm the very low potential of fugacity of OO-tert-butyl O-(2-ethylhexyl) peroxycarbonate, EPISUITE was used to calculate the vapour pressure. The result confirms that the vapour pressure of the substance is very low, and that can be reasonably considered <1Pa. For the risk assessment, the value of 1Pa was considered, as it represents a worst-case.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.