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:
Van Den Dool and Kratz 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-101 | HP-5MS | DB-5 | Optima 5 | SPB-5 |
| Column length (m) | 25. | 30. | 25. | 25. | 30. |
| Carrier gas | He | H2 | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 50. | 75. | 60. | 60. |
| Tend (C) | 200. | 285. | 210. | 280. | 250. |
| Heat rate (K/min) | 3. | 4.3 | 3. | 3. | 4. |
| Initial hold (min) | 2. | 10. | 2. | ||
| Final hold (min) | 15. | 1. | 20. | 20. | |
| I | 1407. | 1430. | 1414. | 1425. | 1415. |
| Reference | Politeo, Jukic, et al., 2007 | Vujisic L., Vuckovic I., et al., 2006 | bin Jantan, Yalvema, et al., 2005 | Chosson, Vérité, et al., 2003 | Pino, Marbot, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | Methyl Silicone | OV-1 | DB-1 | OV-101 |
| Column length (m) | 30. | 50. | 25. | 60. | 50. |
| Carrier gas | He | N2 | H2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.17 | 0.3 | 0.25 | |
| Tstart (C) | 50. | 80. | 50. | 70. | 80. |
| Tend (C) | 280. | 200. | 200. | 250. | 200. |
| Heat rate (K/min) | 4. | 2. | 3. | 2.5 | 2. |
| Initial hold (min) | 5. | 1. | 5. | ||
| Final hold (min) | 20. | 15. | |||
| I | 1430. | 1438. | 1422. | 1436. | 1436. |
| Reference | Lazari, Skaltsa, et al., 1999 | Sumathykutty, Rao, et al., 1999 | Bicchi, Fresia, et al., 1997 | Combariza, Tirado, et al., 1994 | Yang, Sugisawa, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | OV-101 | OV-1 | OV-1 |
| Column length (m) | 50. | 30. | 30. |
| Carrier gas | N2 | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.5 | 0.5 |
| Phase thickness (μm) | 0.8 | 0.8 | |
| Tstart (C) | 80. | 40. | 40. |
| Tend (C) | 200. | 220. | 220. |
| Heat rate (K/min) | 2. | 2. | 2. |
| Initial hold (min) | |||
| Final hold (min) | |||
| I | 1438. | 1425. | 1432. |
| Reference | Yang, Sugisawa, et al., 1992 | De Pooter, Omar, et al., 1985 | De Pooter, Omar, et al., 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Politeo, Jukic, et al., 2007
Politeo, O.; Jukic, M.; Milos, M.,
Chemical composition and antioxidant capacity of free volatile aglycones from basil (Ocimum basilicum L.) compared with its essential oil,
Food Chem., 2007, 101, 1, 379-385, https://doi.org/10.1016/j.foodchem.2006.01.045
. [all data]
Vujisic L., Vuckovic I., et al., 2006
Vujisic L.; Vuckovic I.; Tesevic V.; Dokovic D.; Ristic M.S.; Janackovic P.; Milosavljevic S.,
Comparative examination of the essential oils of Anthemis ruthenica and A-arvensis wild-growing in Serbia,
Flavour Fragr. J., 2006, 21, 3, 458-461, https://doi.org/10.1002/ffj.1681
. [all data]
bin Jantan, Yalvema, et al., 2005
bin Jantan, I.; Yalvema, M.F.; Ayop, N.; Ahmad, A.S.,
Constituents of the essential oils of Cinnamomum sintoc Blume from a mountain forest of Peninsular Malaysia,
Flavour Fragr. J., 2005, 20, 6, 601-604, https://doi.org/10.1002/ffj.1495
. [all data]
Chosson, Vérité, et al., 2003
Chosson, E.; Vérité, P.; Blanckaert, A.; Seguin, E.; Litaudon, M.; Sévenet, T.,
Non polar compounds from the bark of Sarcomelicope follicularis,
Biochem. Syst. Ecol., 2003, 31, 10, 1185-1188, https://doi.org/10.1016/S0305-1978(03)00065-6
. [all data]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [all data]
Lazari, Skaltsa, et al., 1999
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Essential oils of Marrubium velutinum Sm. and Marrubium peregrinum L., growing wild in Greece,
Flavour Fragr. J., 1999, 14, 5, 290-292, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<290::AID-FFJ828>3.0.CO;2-4
. [all data]
Sumathykutty, Rao, et al., 1999
Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S.,
Essential oil constituents of some Piper species,
Flavour Fragr. J., 1999, 14, 5, 279-282, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<279::AID-FFJ821>3.0.CO;2-0
. [all data]
Bicchi, Fresia, et al., 1997
Bicchi, C.; Fresia, M.; Rubiolo, P.; Monti, D.; Franz, C.; Goehler, I.,
Constituents of Tagetes lucida Cav. ssp. lucida essential oil,
Flavour Fragr. J., 1997, 12, 1, 47-52, https://doi.org/10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7
. [all data]
Combariza, Tirado, et al., 1994
Combariza, M.Y.; Tirado, C.B.; Stashenko, E.; Shibamoto, T.,
Limonene concentration in lemon (Citrus volkameriana) peel oil as a function of ripeness,
J. Hi. Res. Chromatogr., 1994, 17, 9, 643-646, https://doi.org/10.1002/jhrc.1240170905
. [all data]
Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N.,
Comparison of odor quality in peel oils of acid citrus,
Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16
. [all data]
De Pooter, Omar, et al., 1985
De Pooter, H.L.; Omar, M.N.; Coolsaet, B.A.; Schamp, N.M.,
The Essential Oil of Greater Galanga (Alpinia Galanga) from Malaysia,
Phytochemistry, 1985, 24, 1, 93-96, https://doi.org/10.1016/S0031-9422(00)80814-6
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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