Registration Dossier
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EC number: 616-968-8 | CAS number: 8015-92-7
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 24 September 2018
- 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 limited documentation / justification
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- (Q)SAR prediction using EPISuite/MPBPVP model
- Key result
- Test no.:
- #1
- Temp.:
- ca. 20 °C
- Vapour pressure:
- 291.75 Pa
- Remarks on result:
- other: Temperature not applicable as (Q)SAR predicted value
- Conclusions:
- Vapour pressures were predicted for the six constituent substances of chamomile oil (UVCB) using EPISuite (MPBPVP model). The vapour pressure values obtained were weighted by molecular weight fraction to calculate an overall vapour pressure for chamomile oil. Where experimental vapour pressure values were available, these superseded the predicted value for that constituent. The overall vapour pressure of Chamomile oil was predicted to be 291.75 Pa.
- Executive summary:
Vapour pressures were predicted for the six constituent substances of chamomile oil (UVCB) using EPISuite (MPBPVP model). The vapour pressure values obtained were weighted by molecular weight fraction to calculate an overall vapour pressure for chamomile oil. Where experimental vapour pressure values were available, these superseded the predicted value for that constituent. The overall vapour pressure of Chamomile oil was predicted to be 291.75 Pa.
Reference
| Constituent | MW Fraction | Vapour Pressure | Source of Vapour Pressure Value |
| Isohexyl angelate | 0.377 | 18.4 Pa | Predicted (EPISuite) |
| Methallyl angelate | 0.253 | 104 Pa | Predicted (EPISuite) |
| Isobutyl angelate | 0.128 | 208 Pa | Predicted (EPISuite) |
| Pinocarveol | 0.125 | 13.9 Pa | Experimental |
| Pinocarvone | 0.062 | 1930 Pa | Predicted (EPISuite) |
| Alpha Pinene | 0.056 | 690 Pa | Experimental |
Description of key information
Vapour pressures were predicted for the six constituent substances of Chamomile oil (UVCB) using EPISuite (MPBPVP model). The vapour pressure values obtained were weighted by molecular weight fraction to calculate an overall vapour pressure for Chamomile oil. Where experimental vapour pressure values were available, these superseded the predicted value for that constituent. The overall vapour pressure of Chamomile oil was predicted to be 291.75 Pa.
Key value for chemical safety assessment
- Vapour pressure:
- 291.75 Pa
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.
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