Registration Dossier
Registration Dossier
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EC number: 217-691-1 | CAS number: 1931-62-0
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- the study does not need to be conducted for organic peroxides
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2018-04-09
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- The experimental determination of the vapour pressure of the test item OO-tert-butyl monoperoxymaleate is technically not feasible because the substance decomposes during testing. However, for the required exposure scenario in this tonnage band, a vapour pressure value needs to be provided which is estimated by QSAR calculation.
- Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- QSAR prediction using MPBPVP v1.43 of EpiSuite v4.1.
- GLP compliance:
- no
- Type of method:
- other: QSAR calculation
- Specific details on test material used for the study:
- SMILES: CC(C)(C)OOC(=O)C=CC(O)=O
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0.147 Pa
- Remarks on result:
- other: Modified Grain Method
- Conclusions:
- The vapour pressure of the test item was estimated by QSAR and is 0.147 Pa at 25 °C (Modified Grain Method).
- Executive summary:
The calculated vapour pressure of OO-tert-butyl monoperoxymaleate is 0.147 Pa at 25 °C. The substance is considered to be in the applicability domain of the model, and despite moderate model accuracy due to the usage of an estimated boiling point and an estimated melting point for vapor pressure prediction, MPBPVP methodology is considered adequate for a regulatory conclusion.
Referenceopen allclose all
see QPRF/QMRF
Description of key information
In accordance with the ECHA Guidance R.7a (Version 6.0, July 2017) this study does not need to be conducted for substances that decompose during measurement or that are unstable or explosive because determination of the vapour pressure is technically not possible. This applies to organic peroxides.
As a vapour pressure value is required for exposure calculations, the EPISuite estimated vapour pressure value of 0.147 Pa at 25 °C is included as key value for chemical safety assessment.
Key value for chemical safety assessment
- Vapour pressure:
- 0.147 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.
