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EC number: 235-527-7 | CAS number: 12262-58-7
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:
- The study was conducted on 7 December 2015.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- GLP compliance:
- no
- Other quality assurance:
- other: ISO 9000
- Type of method:
- static method
- Specific details on test material used for the study:
- The specific details on the substance used for this study were as follows:
Description: Clear and colorless liquid
Purity: Cyclohexanone peroxide (mixture of cyclohexyl peroxy components) 33.9%
Dimethyl phthalate 45.4%
Diacetone alcohol 14.6%
Water 8.1%
Batch number: 1405426797
Storage temperature For maximum quality store below: 25 °C
Expiration date: June 1, 2024 - Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- 1.94 kPa
- Remarks on result:
- other: neat organic peroxides not stable, this is the vp of a commercial formulation that is marketed
- Key result
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 2.33 kPa
- Remarks on result:
- other: neat organic peroxides not stable, this is the vp of a commercial formulation that is marketed
- Conclusions:
- The vapor pressure of the test substance was determined according to EC Regulation No 440/2008, Guideline A.3, and according to OECD Guideline 109.
The vapor pressure of cyclohexanone, peroxide, 30% in dimethyl phthalate and diacetone alcohol at:
20°C is 1.94 kPa (± 0.05).
25°C is 2.33 kPa (± 0.07). - Executive summary:
The vapor pressure of cyclohexanone, peroxide, 30% in dimethyl phthalate and diacetone alcohol was determined according to EC Regulation No 440/2008, Guideline A.3 and according to OECD Guideline 109, and in accordance with European Chemicals Agency (ECHA), Guidance on information requirements and chemical safety assessment, Chapter R.7a, Endpoint specific guidance, May 2008.
The vapor pressure of cyclohexanone, peroxide (CAS 12262-58-7) 30% in dimethyl phthalate and diacetone alcohol at:
20°C is 1.94 kPa (± 0.05).
25°C is 2.33 kPa (± 0.07).
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Validity of model for vp of this substance is unknown
- Principles of method if other than guideline:
- calculation
- Type of method:
- other: calculation
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- calculated vp is 0.00019 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Executive summary:
calculated vp is 0.00019 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Validity of model for vp of this substance is unknown
- Principles of method if other than guideline:
- calculation
- Type of method:
- other: calculation
- Temp.:
- 25 °C
- Vapour pressure:
- 0.001 Pa
- Conclusions:
- calculated vp is 0.0006 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Executive summary:
calculated vp is 0.0006 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Validity of model for vp of this substance is unknown
- Principles of method if other than guideline:
- calculation
- Type of method:
- other: calculation
- Temp.:
- 25 °C
- Vapour pressure:
- 1.41 Pa
- Conclusions:
- calculated vp is 1.41 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Executive summary:
calculated vp is 1.41 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Validity of model for vp of this substance is unknown
- Principles of method if other than guideline:
- calculation
- Type of method:
- other: calculation
- Temp.:
- 25 °C
- Vapour pressure:
- 0.19 Pa
- Conclusions:
- calculated vp is 0.19 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Executive summary:
calculated vp is 0.19 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Validity of model for vp of this substance is unknown
- Principles of method if other than guideline:
- calculation
- Type of method:
- other: calculation
- Temp.:
- 25 °C
- Vapour pressure:
- 2.16 Pa
- Conclusions:
- calculated vp is 2.16 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Executive summary:
calculated vp is 2.16 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Validity of model for vp of this substance is unknown
- Principles of method if other than guideline:
- calculation
- Type of method:
- other: calculation
- Temp.:
- 25 °C
- Vapour pressure:
- 0.007 Pa
- Conclusions:
- calculated vp is 0.0075 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Executive summary:
calculated vp is 0.0075 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Validity of model for vp of this substance is unknown
- Principles of method if other than guideline:
- calculation
- Type of method:
- other: calculation
- Temp.:
- 25 °C
- Vapour pressure:
- 0.001 Pa
- Conclusions:
- calculated vp is 0.000857 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Executive summary:
calculated vp is 0.000857 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Validity of model for vp of this substance is unknown
- Principles of method if other than guideline:
- calculation
- Type of method:
- other: calculation
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- calculated vp is 0.000004 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Executive summary:
calculated vp is 0.000004 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Validity of model for vp of this substance is unknown
- Principles of method if other than guideline:
- calculation
- Type of method:
- other: calculation
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- calculated vp is 9.42E-05 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Executive summary:
calculated vp is 9.42E-05 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Validity of model for vp of this substance is unknown
- Principles of method if other than guideline:
- calculation
- Type of method:
- other: calculation
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- calculated vp is 0.00005 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
- Executive summary:
calculated vp is 0.00005 Pa @ 25 oC, the validity of the model for this substance for this endpoint is unknown. The neat substance is not stable.
Referenceopen allclose all
Calibration and validity verification
The calibration of the equipment was done.
Equipment |
Type |
Identification code |
Due date calibration |
Thermocouple |
Chromel-Alumel (Type K) |
2102-2V044 |
2016-12-21 |
Vacuum sensor |
Inficon 0-100 Torr |
2104-SRD303 |
2018-10-27 |
Data logger |
Graphtec GL200 |
8008-2V010 |
2017-02-17 |
The maximum deviation found is 2.8% (± 0.06 kPa). In the range of 15°C - 30°C, the accuracy for the calibration liquid is ± 2.8 % compared with the literature values.
Temperature (°C) |
P (kPa) measured |
P (kPa) (reference) |
Deviation (%) |
16.1 |
1.82 |
1.82 |
+0.0 |
21.0 |
2.41 |
2.48 |
-2.8 |
27.4 |
3.57 |
3.64 |
-1.9 |
28.3 |
3.80 |
3.84 |
-1.0 |
The vapor pressure of the tested reference material can be given in next equation:
p (mbara) = 6.8517 * e0.06033*T(°C)
Comparison of vapor pressure values of water with reference values:
Temperature (°C) |
P (mbara) measured (interpolation) |
P (kPa) measured (interpolation) |
P (kPa) reference |
20.0 |
22.9 |
2.29 |
2.34 |
25.0 |
30.9 |
3.09 |
3.17 |
Test substance
Measured vapor pressure of the test substance between 15°C and 30°C :
Temperature (°C) |
P (mbara) measured (interpolation) |
P (kPa) measured (interpolation) |
15.4 |
16.2 |
1.62 |
16.3 |
16.9 |
1.69 |
20.9 |
20.2 |
2.02 |
30.3 |
28.3 |
2.83 |
The vapor pressure of the tested substance can be given in next equation:
p (mbara) = 9.20319 * e0.03719*T (°C)
Vapor pressure of the substance at 20°C and 25°C (± 2.8%):
Temperature (°C) |
P (mbara) measured (interpolation) |
P (kPa) measured (interpolation) (±2.8 %) |
20.0 |
19.4 |
1.94 ± 0.05 |
25.0 |
23.3 |
2.33 ± 0.07 |
Description of key information
The neat organic peroxide constituents are not stable. The vapor pressure of a commercially marketed formulation has been measured (1.94 kPa @ 20 oC, 2.33 kPa @ 25 oC).
For the Chemical Safety Assessment, the vp of the neat organic peroxide constituents were calculated using ACD Labs and EpiWin, and the worst case calculated vp was used for the assessment (2.16 Pa @ 25 oC for CAS# 2699-11-8)
Key value for chemical safety assessment
- Vapour pressure:
- 2.16 Pa
- at the temperature of:
- 25 °C
Additional information
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.
