(E)-Caryophyllene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1
- IUPAC Standard InChIKey: NPNUFJAVOOONJE-IOMPXFEGSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-
- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-
- (1R,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
- 9-epi-Caryophyllene
- cis-Caryophyllene
- (+)(E)-Caryophyllene
- 2-epi-(E)- β-Caryophyllene
- 9-epi-β-Caryophyllene
- cis-Caryophyllene
- 2-epi-(E)-β-Caryophyllene
- β-cis-Caryophyllene
- Isocaryophyllene
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | Elite-5 MS | HP-5 | HP-5 MS | SLB-5 MS |
| Column length (m) | 30. | 30. | 30. | 30. | 10. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.10 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.10 |
| Tstart (C) | 60. | 40. | 60. | 100. | 50. |
| Tend (C) | 240. | 220. | 240. | 220. | 250. |
| Heat rate (K/min) | 3. | 4. | 3. | 2. | 10. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | |||||
| I | 1420. | 1420. | 1418. | 1416. | 1415. |
| Reference | Kahriman, Tosun, et al., 2011 | Baharum, Bunawan, et al., 2010 | Kahriman, Tosun, et al., 2010 | Pripdeevech, Chumpolsri, et al., 2010 | Scandinaro, Tranchida, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | SLB-5 MS | DB-5 | HP-5 |
| Column length (m) | 10. | 60. | 30. |
| Carrier gas | Helium | Nitrogen | Helium |
| Substrate | |||
| Column diameter (mm) | 0.10 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.10 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 40. |
| Tend (C) | 250. | 250. | 250. |
| Heat rate (K/min) | 10. | 5. | 5. |
| Initial hold (min) | 2. | ||
| Final hold (min) | 10. | 5. | |
| I | 1423. | 1433. | 1411. |
| Reference | Scandinaro, Tranchida, et al., 2010 | Mosayebi, Amin, et al., 2008 | N/A |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N.,
Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis,
Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]
Baharum, Bunawan, et al., 2010
Baharum, S.N.; Bunawan, H.; Ghani, M.A.; Mustafa, W.A.W.; Noor, N.M.,
Analysis of the chemical composition of the essential oil of Polygonum minus Huds. using two-dimensional gas chromatography - time of flight mass spectrometry (GC-TOF-MS),
Molecules, 2010, 15, 10, 7006-7015, https://doi.org/10.3390/molecules15107006
. [all data]
Kahriman, Tosun, et al., 2010
Kahriman, N.; Tosun, G.; Genc, H.; Yayli, N.,
Comparative essential oil analysis of Geranium sylvaticum estracted by hydrodistillation and microwave distillation,
Turk. J. Chem., 2010, 34, 969-976. [all data]
Pripdeevech, Chumpolsri, et al., 2010
Pripdeevech, P.; Chumpolsri, W.; Suttiarporn, P.; Wongpornchai, S.,
The chemical composition and antioxidant activities of Basil from Thailand using retention indices and comprehensive two-dimensional gas chromatography,
J. Seb. Chem. Soc., 2010, 75, 11, 1503-1513, https://doi.org/10.2298/JSC100203125P
. [all data]
Scandinaro, Tranchida, et al., 2010
Scandinaro, M.; Tranchida, P.Q.; Costa, R.; Dugo, P.; Mondello, L.,
Rapid Quality Control of Flavours and Fragrances using Fast GC-MS and Multi-MS Library Search Procedures,
LCGC Europe, 2010, 23, 9, 456-464. [all data]
Mosayebi, Amin, et al., 2008
Mosayebi, M.; Amin, G.; Arzani, H.; Azarnivand, H.; Maleki, M.; Shafaghat, A.,
Effect of habitat on essential oil of Achillea filipendula L. in Iran,
Asian J. Plant Sci., 2008, 7, 8, 779-781, https://doi.org/10.3923/ajps.2008.779.781
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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