trans-α-Bergamotene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3
- IUPAC Standard InChIKey: YMBFCQPIMVLNIU-UHFFFAOYSA-N
- CAS Registry Number: 13474-59-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Stereoisomers:
- Other names: 2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene; α-trans-Bergamotene; (E)-α-Bergamotene; α-E-Bergamotene; trans-Bergamotene; (E)-α-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]- hept-2-ene ((E)-α-bergamotene); α-trans-Bergamoptene; Bergamotene (α-trans); trans-α-bergamottene; Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, polar column, custom temperature program
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 | Carbowax 20M | Supelcowax-10 | HP-Innowax FSC | HP-Innowax FSC | Carbowax 20M |
| Column length (m) | 25. | 30. | 60. | 60. | |
| Carrier gas | H2 | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | 40C(8min) => 3C/min => 180C => 20C/min => 230C (10min) | 40C(3min) => 4C/min => 75C => 8C/min => 260C(5min) | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified |
| I | 1536. | 1592. | 1568. | 1568. | 1585. |
| Reference | Lorenzo, Loayza, et al., 2006 | Vichi, Guadayol, et al., 2006 | Sezik E., Kocakulak E., et al., 2005 | Viljoen, Subramoney, et al., 2005 | Gallori, Bilia, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | FFAP | RTX-Wax |
| Column length (m) | 50. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.2 | 0.25 |
| Phase thickness (μm) | 0.33 | 0.25 |
| Program | 60C(1min) => 2.5C/min => 115C => 1C/min => 210C(30min) | not specified |
| I | 1568. | 1551. |
| Reference | Tucker, Maciarello, et al., 2001 | Kéita, Vincent, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lorenzo, Loayza, et al., 2006
Lorenzo, D.; Loayza, I.; Dellacassa, E.,
Composition and chiral characterization of the essential oil of Buddleja tucumanensis from Bolivia,
Flavour Fragr. J., 2006, 21, 1, 95-98, https://doi.org/10.1002/ffj.1526
. [all data]
Vichi, Guadayol, et al., 2006
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S.,
Monoterpene and sesquiterpene hydrocarbons of virgin olive oil by headspace solid-phase microextraction coupled to gas chromatography/mass spectrometry,
J. Chromatogr. A, 2006, 1125, 1, 117-123, https://doi.org/10.1016/j.chroma.2006.05.029
. [all data]
Sezik E., Kocakulak E., et al., 2005
Sezik E.; Kocakulak E.; Baser K.H.C.; Ozek T.,
Composition of the essential oils of Juniperus oxycedrus subsp macrocarpa from Turkey,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 352-354, https://doi.org/10.1007/s10600-005-0149-0
. [all data]
Viljoen, Subramoney, et al., 2005
Viljoen, A.M.; Subramoney, S.; van Vuuren, S.F.; Baser, K.H.C.; Demirci, B.,
The composition, geographical variation and antimicrobial activity of Lippia javanica (Verbenaceae) leaf essential oils,
J. Ethnopharmacol., 2005, 96, 1-2, 271-277, https://doi.org/10.1016/j.jep.2004.09.017
. [all data]
Gallori, Bilia, et al., 2001
Gallori, S.; Bilia, A.R.; Mulinacci, N.; Bicchi, C.; Rubiolo, P.; Vincieri, F.F.,
Identification of volatile constituents of Tambourissa leptophylla,
Planta Medica, 2001, 67, 3, 290-292, https://doi.org/10.1055/s-2001-12001
. [all data]
Tucker, Maciarello, et al., 2001
Tucker, A.O.; Maciarello, M.J.; Alkire, B.H.,
Essential oil of Aeollanthus suaveolens Mart. ex Spreng. (Lamiaceae),
J. Essent. Oil Res., 2001, 13, 3, 198-199, https://doi.org/10.1080/10412905.2001.9699662
. [all data]
Kéita, Vincent, et al., 2000
Kéita, S.M.; Vincent, C.; Schmit, J.-P.; Bélanger, A.,
Essential oil composition of Ocimum basilicum L., O. gratissimum L. and O. suave L. in the Republic of Guinea,
Flavour Fragr. J., 2000, 15, 5, 339-341, https://doi.org/10.1002/1099-1026(200009/10)15:5<339::AID-FFJ922>3.0.CO;2-H
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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