Bicyclo[3.1.1]heptane, 6-methyl-2-methylene-6-(4-methyl-3-pentenyl)-, [1R-(1α,5α,6β)]-
- 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/h6,13-14H,3,5,7-10H2,1-2,4H3
- IUPAC Standard InChIKey: DGZBGCMPRYFWFF-UHFFFAOYSA-N
- CAS Registry Number: 55123-21-2
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: 6-Methyl-2-methylene-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]heptane-, [1R-(1α,5α,6β)]-; Bergamotene; trans-β-bergamotene; (E)-β-Bergamotene; 6-Methyl-2-methylene-6-(4-methyl-3-pentenyl)-bicyclo[3.1.1]heptane
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, 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 | DB-FFAP | TC-FFAP | Innowax FSC | Innowax | Carbowax 20M |
| Column length (m) | 30. | 60. | 60. | 60. | 30. |
| Carrier gas | Helium | He | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.4 | 0.325 | ||
| Tstart (C) | 50. | 60. | 60. | 60. | 50. |
| Tend (C) | 250. | 220. | 220. | 220. | 215. |
| Heat rate (K/min) | 4. | 3. | 4. | 4. | 4. |
| Initial hold (min) | 4. | 10. | 10. | ||
| Final hold (min) | 5. | 30. | 10. | 20. | |
| I | 1596. | 1588. | 1594. | 1594. | 1586. |
| Reference | Osorio, Carriazo, et al., 2011 | Kurose and Yatagai, 2005 | Lourens, Reddy, et al., 2004 | Suleimenov, Atazharova, et al., 2003 | Kasali, Winterhalter, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Innowax | HP-Innowax | DB-Wax | Supelcowax-10 |
| Column length (m) | 60. | 60. | 60. | 60. | 30. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.50 | |
| Tstart (C) | 70. | 60. | 60. | 50. | 50. |
| Tend (C) | 230. | 220. | 220. | 250. | 240. |
| Heat rate (K/min) | 2. | 8. | 4. | ||
| Initial hold (min) | 10. | 10. | 1. | 2. | |
| Final hold (min) | 6. | 10. | |||
| I | 1593. | 1594. | 1594. | 1591. | 1586. |
| Reference | Tu, Thanh, et al., 2002 | Kaya, Baser, et al., 1999 | Kaya, Baser, et al., 1999, 2 | Sagrero-Nieves and Bartley, 1996 | Ramaswami, Briscese, et al., 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Supelcowax-10 |
| Column length (m) | 30. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 240. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 2. |
| Final hold (min) | 10. |
| I | 1586. |
| Reference | Ramaswami, Briscese, et al., 1986 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Osorio, Carriazo, et al., 2011
Osorio, C.; Carriazo, J.G.; Barbosa, H.,
Thermal and structural study of Guava (Psidium guajava L.) powders obtained by two dehydration methods,
Quim. Nova, 2011, 34, 4, 636-640, https://doi.org/10.1590/S0100-40422011000400016
. [all data]
Kurose and Yatagai, 2005
Kurose, K.; Yatagai, M.,
Components of the essential oils of Azadirachta indica A. Juss, Azadirachta siamensis Velton, and Azadirachta excelsa (Jack) Jacobs and their comparison,
J. Wood Sci., 2005, 51, 2, 185-188, https://doi.org/10.1007/s10086-004-0640-4
. [all data]
Lourens, Reddy, et al., 2004
Lourens, A.C.U.; Reddy, D.; Baser, K.H.C.; Viljoen, A.M.; Van Vuuren, S.F.,
In vitro Biological Activity and Essential Oil Composition of Four Indigenous South Africal Helichrysum Species,
J. Ethnopharmacol., 2004, 95, 2-3, 253-258, https://doi.org/10.1016/j.jep.2004.07.027
. [all data]
Suleimenov, Atazharova, et al., 2003
Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M.,
Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora
in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [all data]
Kasali, Winterhalter, et al., 2002
Kasali, A.A.; Winterhalter, P.; Adio, A.M.; Knapp, H.; Bonnlander, B.,
Chromenes in Ageratum conyzoides L.,
Flavour Fragr. J., 2002, 17, 4, 247-250, https://doi.org/10.1002/ffj.1099
. [all data]
Tu, Thanh, et al., 2002
Tu, N.T.M.; Thanh, L.X.; Une, A.; Ukeda, H.; Sawamura, M.,
Volatile constituents of Vietnamese pummelo, orange, tangerine and lime peel oils,
Flavour Fragr. J., 2002, 17, 3, 169-174, https://doi.org/10.1002/ffj.1076
. [all data]
Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F.,
The essential oil of Acinos alpinus (L.) Moench growing in Turkey,
Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q
. [all data]
Kaya, Baser, et al., 1999, 2
Kaya, A.; Baser, K.H.C.; Tümen, G.; Koca, F.,
The essential oil of Acinos suaveolens (Sm.) G. Don fil. Acinos arvensis (Lam.) Dandy and Acinos rotundifolius Pers. growing wild in Turkey,
Flavour Fragr. J., 1999, 14, 1, 60-64, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<60::AID-FFJ785>3.0.CO;2-0
. [all data]
Sagrero-Nieves and Bartley, 1996
Sagrero-Nieves, L.; Bartley, J.P.,
Volatile components from the leaves of heterotheca inuloides Cass.,
Flavour Fragr. J., 1996, 11, 1, 49-51, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<49::AID-FFJ538>3.0.CO;2-J
. [all data]
Ramaswami, Briscese, et al., 1988
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T.,
Sesquiterpene hydrocarbons: from mass confusion to orderly line-up
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 951-980. [all data]
Ramaswami, Briscese, et al., 1986
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T.,
Sesquiterpene hydrocarbons: from mass confusion to orderly line-up
in Flavors and Fragrances: A World Perspective, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Proceedings of the 10th International Congress of Essential Oils, Fragrances, and Flavors, Washington, DC, 1986, 951-959. [all data]
Notes
Go To: Top, Normal alkane RI, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.