Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-
- 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: 17699-05-7
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-; α-Bergamotene; trans-α-Bergamotene; Bicyclo[3,1,1]hept-2-ene,2,6-dimethyl-6-[4-methyl-3-pentenyl]-; 2,6-dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene
- 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 | CP-Wax 52CB | TC-FFAP | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. | 60. | |
| Carrier gas | He | He | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 70. | 70. | 70. |
| Tend (C) | 220. | 220. | 230. | 230. | 230. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | 2. |
| Initial hold (min) | 1. | 2. | 2. | 2. | |
| Final hold (min) | 2. | 30. | 20. | 20. | 20. |
| I | 1592. | 1587. | 1575. | 1589. | 1588. |
| Reference | Hymete, Rohloff, et al., 2007 | Kurose, Okamura, et al., 2007 | Sawamura, Onishi, et al., 2006 | Sawamura, Onishi, et al., 2006 | Choi, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | Innowax | DB-Wax |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | N2 | Nitrogen | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 70. | 70. | 70. | 60. | 70. |
| Tend (C) | 230. | 230. | 230. | 220. | 230. |
| Heat rate (K/min) | 2. | 2. | 2. | 4. | 2. |
| Initial hold (min) | 2. | 2. | 2. | 10. | 2. |
| Final hold (min) | 20. | 20. | 10. | 20. | |
| I | 1583. | 1603. | 1603. | 1545. | 1558. |
| Reference | Choi, 2004, 2 | Sawamura, Son, et al., 2004 | Sawamura, Sou, et al., 2004 | Suleimenov, Atazharova, et al., 2003 | Tu, Onishi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | PEG-20M | Carbowax | TC-Wax | Carbowax 20M |
| Column length (m) | 60. | 60. | 50. | 60. | 60. |
| Carrier gas | He | N2 | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | |||
| Tstart (C) | 40. | 70. | 80. | 80. | 50. |
| Tend (C) | 180. | 220. | 200. | 240. | 150. |
| Heat rate (K/min) | 5. | 3. | 1. | 3. | 2. |
| Initial hold (min) | 5. | 5. | 10. | ||
| Final hold (min) | 20. | 20. | 20. | ||
| I | 1592. | 1597. | 1590. | 1569. | 1589. |
| Reference | Galindo-Cuspinera, Lubran, et al., 2002 | Hirose, Joichi, et al., 1999 | Menon, Chacko, et al., 1999 | Shuichi, Masazumi, et al., 1996 | Tirado, Stashenko, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M |
| Column length (m) | 150. | 150. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.64 | 0.64 |
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 50. |
| Tend (C) | 170. | 170. |
| Heat rate (K/min) | 1. | 1. |
| Initial hold (min) | 10. | 30. |
| Final hold (min) | 60. | |
| I | 1570. | 1610. |
| Reference | Seifert and King, 1982 | Buttery and Kamm, 1980 |
| Comment | MSDC-RI | 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.
Hymete, Rohloff, et al., 2007
Hymete, A.; Rohloff, J.; Iversen, T.-H.; Kjosen, H.,
Volatile constituents of the roots of Echinops kebericho Mesfin,
Flavour Fragr. J., 2007, 22, 1, 35-38, https://doi.org/10.1002/ffj.1746
. [all data]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
. [all data]
Sawamura, Onishi, et al., 2006
Sawamura, M.; Onishi, Y.; Ikemoto, J.; Tu, N.T.M.; Phi, N.T.L.,
Characteristic odour components of bergamot (Citrus bergamia Risso) essential oil,
Flavour Fragr. J., 2006, 21, 4, 609-615, https://doi.org/10.1002/ffj.1604
. [all data]
Choi, 2004
Choi, H.-S.,
Volatile constituents of satsuma mandarins growing in Korea,
Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283
. [all data]
Choi, 2004, 2
Choi, H.-S.,
Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME,
J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p
. [all data]
Sawamura, Son, et al., 2004
Sawamura, M.; Son, U.-S.; Choi, H.-S.; Kim, M.-S.L.; Phi, N.T.L.; Fears, M.; Kumagai,
Compositional changes in commercial lemon essential oil for aromatherapy,
Int. J. Aromatherapy, 2004, 14, 1, 27-36, https://doi.org/10.1016/j.ijat.2004.02.001
. [all data]
Sawamura, Sou, et al., 2004
Sawamura, M.; Sou, U.-S.; Choi, H.-S.; Kim, M.-S.; Phi, N.T.L.; Fears, M.; Kumagai. C.,
Composition changes in commercial lemon essential oil for aromatherapy,
Int. J. Aromatherapy, 2004, 14, 1, 27-36, https://doi.org/10.1016/j.ijat.2004.02.001
. [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]
Tu, Onishi, et al., 2003
Tu, N.T.M.; Onishi, Y.; Choi, H.S.; Kondo, Y.; Ukeda, H.; Sawamura, M.,
Characteristic odour components of Citrus sp. (Kiyookadaidai) cold-pressed peel oil,
Flavour Fragr. J., 2003, 18, 6, 515-520, https://doi.org/10.1002/ffj.1260
. [all data]
Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A.,
Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts,
J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h
. [all data]
Hirose, Joichi, et al., 1999
Hirose, S.; Joichi, A.; Nakamura, S.; Awano, K.,
Volatile components of musky scent of orchids,
Flavour Fragr. J., 1999, 14, 3, 183-184, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<183::AID-FFJ804>3.0.CO;2-S
. [all data]
Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S.,
Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill),
Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A
. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Tirado, Stashenko, et al., 1995
Tirado, C.B.; Stashenko, E.E.; Combariza, M.Y.; Martinez, J.R.,
Comparative study of Colombian citrus oils by high-resolution gas chromatography and gas chromatography-mass spectrometry,
J. Chromatogr. A, 1995, 697, 1-2, 501-513, https://doi.org/10.1016/0021-9673(94)00955-9
. [all data]
Seifert and King, 1982
Seifert, R.M.; King, A.D., Jr.,
Identification of some volatile constituents of Aspergillus clavatus,
J. Agric. Food Chem., 1982, 30, 4, 786-790, https://doi.org/10.1021/jf00112a044
. [all data]
Buttery and Kamm, 1980
Buttery, R.G.; Kamm, J.A.,
Volatile components of alfalfa: possible insect host plant attractants,
J. Agric. Food Chem., 1980, 28, 5, 978-981, https://doi.org/10.1021/jf60231a014
. [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.