Registration Dossier
Registration Dossier
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EC number: 283-479-0 | CAS number: 84649-98-9 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Cinnamomum zeylanicum, Lauraceae.
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- QSAR prediction: migrated from IUCLID 5.6
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Data source
Reference
- Reference Type:
- other: QSAR model
- Title:
- MPBWIN v1.43
- Author:
- U.S. Environmental Protection Agency
- Year:
- 2 008
- Bibliographic source:
- US EPA. 2009. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: NCS Protocol
- Deviations:
- no
- Principles of method if other than guideline:
- This parameter varies as the composition of the mixture changes during evaporation. For Type 1 NCSs with known constituents the “initial” vapour pressure can be calculated as the sum of the partial pressure of the known constituents. Also a range of the vapour pressure can be given. Therefore, the first approach will be a calculation of the vapour pressure based on constituents. The “initial” vapour pressure is calculated as the sum of the partial pressure of the constituents (based on molecular fraction).
- GLP compliance:
- no
- Type of method:
- other: Calculation by estimation
Test material
- Reference substance name:
- Cinnamomum zeylanicum, ext.
- EC Number:
- 283-479-0
- EC Name:
- Cinnamomum zeylanicum, ext.
- Cas Number:
- 84649-98-9
- Molecular formula:
- Not Applicable due to UVCB
- IUPAC Name:
- (1S,5R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene; (2S,6S,8S)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-3-ene; (2S,6S,8S)-1-methyl-3-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]decane; 1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene; 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane; 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene; 2-methylbuta-1,3-diene; 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene; 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane; 7-methyl-3-methylideneocta-1,6-diene
- Reference substance name:
- Cinnamon leaf oil
- IUPAC Name:
- Cinnamon leaf oil
- Details on test material:
- - Name of test material (as cited in study report): Cinnamon leaf oil
- Physical state: liquid
Constituent 1
Constituent 2
Results and discussion
Vapour pressure
- Temp.:
- 25 °C
- Vapour pressure:
- 10.51 Pa
- Remarks on result:
- other: Initial vapour pressure
Any other information on results incl. tables
Substance |
CAS |
Cinnamon leaf oil % |
Predicted vapour pressure in Pa at 25C |
Eugenol |
97-53-0 |
75.3 |
1.02 |
Eugenyl Acetate |
93-28-7 |
3.3 |
0.634 |
Benzyl benzoate |
120-51-4 |
3.1 |
0.0741 |
B-caryophyllene |
87-44-5 |
3.7 |
4.16 |
alpha-Pinene |
80-56-8 |
1.2 |
536 |
alpha-Phellandrene |
99-83-2 |
1.3 |
255 |
Linalool |
78-70-6 |
2.4 |
11.1 |
safrole |
94-59-7 |
0.9 |
8.24 |
Cinnamic aldehyde |
104-55-2 |
1.3 |
4.49 |
Cinnamyl acetate |
103-54-8 |
1.9 |
1.62 |
The sum of the vapour pressures multiplied by the fractions in the mixture is 9.93 Pa. To correct for the 5.53% unknown constituents (assuming the average vapour pressure for the unknown constituents is similar to tha average vapour pressure of the known constituents), this number is multiplied by 1 / 0.947.
The vapour pressure of constituents ranges from 0.0741 to 536 Pa.
Applicant's summary and conclusion
- Conclusions:
- The initial vapour pressure of cinnamon leaf oil is 10.5 Pa at 25 degrees Celsius.
- Executive summary:
The initial vapour pressure of cinnamon leaf oil was estimated by calculation. Vapour pressures for the known constituents were estimated using the QSAR MPBPWIN v 1.43. The sum of the vapour pressures multiplied by the molecular fraction of the substance in the NCS was taken as an inial estimate for the vapour pressure of the mixture. The number obtained was then corrected for the unknown constituents (assuming the average vapour pressure for the unknown constituents is similar to the average vapour pressure of the known constituents).
The initial vapour pressure of cinnamon leaf oil was calculated to be 10.51 Pa at 25 degrees Celsius. The vapour pressure of constituents ranges from 0.0741 to 536 Pa.
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