α-Cubebene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3
- IUPAC Standard InChIKey: XUEHVOLRMXNRKQ-UHFFFAOYSA-N
- CAS Registry Number: 17699-14-8
- 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. - Stereoisomers:
- Other names: 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, [3aS-(3aα,3bβ,4β,7α,7aS*)-(-)-]; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3aα,3bα,4,5,6,7-hexahydro-4α-isopropyl-3,7β-dimethyl-, (-)-; (-)-α-Cubebene; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, [3aS-(3aα,3bβ,4β,7α,7aS*)]-; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3aα,3bα,4α,7β,7aR*)-(-)-; 4-Isopropyl-3,7-dimethyl-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta[2,3]cyclopropa[1,2-a]benzene-, (3aS,3bR,4S,7R,7aR)-; alpha-Cubebene; α-Cubenene; Cubebene; α-Cubeben; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz 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 | BP-20 | HP-20M | HP-20M | RTX-Wax | RTX-Wax |
| Column length (m) | 50. | 50. | 50. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.2 | 0.2 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.2 | 0.2 | 0.25 | 0.25 |
| Tstart (C) | 60. | 70. | 70. | 60. | 60. |
| Tend (C) | 220. | 180. | 180. | 230. | 230. |
| Heat rate (K/min) | 2. | 4. | 4. | 2. | 2. |
| Initial hold (min) | 4. | 4. | |||
| Final hold (min) | 20. | 10. | 15. | 35. | 35. |
| I | 1459. | 1438. | 1440. | 1460. | 1460. |
| Reference | Lesueur, de Rocca Serra, et al., 2007 | Maksimovic, Vidic, et al., 2007 | Maric, Jukic, et al., 2007 | Paolini J., Costa J., et al., 2007 | Paolini, Muselli, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | DB-Wax | BP-20 | Polyethylene Glycol | HP-Wax |
| Column length (m) | 30. | 30. | 50. | 30. | 30. |
| Carrier gas | He | He | He | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 60. | 50. | 60. |
| Tend (C) | 260. | 250. | 220. | 230. | 220. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | 5. |
| Initial hold (min) | 5. | 10. | 10. | ||
| Final hold (min) | 10. | 20. | 15. | ||
| I | 1457. | 1459. | 1453. | 1463. | 1461. |
| Reference | Saroglou, Marin, et al., 2007 | Aromdee and Sriubolmas, 2006 | Boti, Bighelli, et al., 2006 | Dob, Dahmane, et al., 2006 | Flamini, Tebano, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | Supelcowax-10 | BP-20 | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 50. | 60. | 30. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.2 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.2 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 70. | 60. | 70. | 40. |
| Tend (C) | 220. | 220. | 220. | 230. | 250. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 15. | 15. | 20. | 20. | 20. |
| I | 1455. | 1457. | 1458. | 1466. | 1449. |
| Reference | Pinto, Pina-Vaz, et al., 2006 | Salgueiro L.R., Pinto E., et al., 2006 | Boti J.B., Koukoua G., et al., 2005 | Choi, 2005 | Fanciullino, Gancel, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax | RTX-Wax | DB-Wax | HP-Innowax | DB-Wax |
| Column length (m) | 50. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 50. | 60. | 60. | 60. | 40. |
| Tend (C) | 220. | 230. | 220. | 260. | 200. |
| Heat rate (K/min) | 2. | 2. | 5. | 3. | 4. |
| Initial hold (min) | 3. | 10. | 5. | ||
| Final hold (min) | 20. | 35. | 20. | ||
| I | 1442. | 1460. | 1458. | 1468. | 1463. |
| Reference | Lee, Lee, et al., 2005 | Paolini, Costa, et al., 2005 | Bertoli, Menichini, et al., 2004 | Grujic-Jovanovic, Skaltsa, et al., 2004 | Yu, Kim, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Carbowax 20M | RTX-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 25. | 60. | 60. | 60. |
| Carrier gas | He | He | He | N2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.3 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 50. | 60. | 70. | 40. |
| Tend (C) | 200. | 200. | 230. | 230. | 245. |
| Heat rate (K/min) | 4. | 3. | 2. | 2. | 1.5 |
| Initial hold (min) | 5. | 1. | 2. | ||
| Final hold (min) | 20. | 20. | 45. | 20. | 20. |
| I | 1463. | 1457. | 1450. | 1463. | 1448. |
| Reference | Yu, Kim, et al., 2004, 2 | Bicchi, Rubiolo, et al., 2003 | Cavalli, Tomi, et al., 2003 | Choi, 2003 | Gancel, Ollitrault, 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 | HP-Innowax | HP-Innowax | AT-Wax | HP-Innowax |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.25 | 0.50 |
| Tstart (C) | 45. | 60. | 60. | 65. | 60. |
| Tend (C) | 250. | 260. | 260. | 250. | 260. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 3. |
| Initial hold (min) | 6. | 10. | |||
| Final hold (min) | 60. | ||||
| I | 1441. | 1457. | 1456. | 1447. | 1456. |
| Reference | Shellie, Marriott, et al., 2003 | Skaltsa, Demetzos, et al., 2003 | Tzakou, Couladis, et al., 2003 | Pino, Marbot, et al., 2002 | Couladis, Tzakou, et al., 2001 |
| 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 | DB-Wax | HP-20M |
| Column length (m) | 60. | 60. | 60. | 60. | 50. |
| Carrier gas | He | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.50 | 0.53 | 0.53 | 0.25 | 0.2 |
| Phase thickness (μm) | 1.0 | 1.0 | 1.0 | 0.25 | 0.2 |
| Tstart (C) | 60. | 50. | 50. | 70. | 70. |
| Tend (C) | 225. | 220. | 220. | 230. | 180. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 4. |
| Initial hold (min) | 2. | 4. | |||
| Final hold (min) | 20. | 10. | |||
| I | 1468. | 1468. | 1468. | 1466. | 1438. |
| Reference | Brophy, Goldsack, et al., 2000 | Brophy, Goldsack, et al., 2000, 2 | Brophy, Goldsack, et al., 2000, 3 | Choi and Sawamura, 2000 | Milos and Radonic, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Innowax | DB-Wax | SP-1000 |
| Column length (m) | 60. | 60. | 60. | 60. | 85. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.53 | 0.53 | 0.25 | 0.32 | 0.5 |
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 50. | 50. | 50. | 35. | 60. |
| Tend (C) | 220. | 220. | 180. | 220. | 225. |
| Heat rate (K/min) | 3. | 3. | 2.5 | 3. | 3. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | |||||
| I | 1468. | 1468. | 1458. | 1458. | 1468. |
| Reference | Brophy, Goldsack, et al., 1999 | Brophy, Goldsack, et al., 1999, 2 | Stashenko, Cervantes, et al., 1999 | Brophy, Forster, et al., 1998 | Brophy, Forster, et al., 1998, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Carbowax 20M | DB-Wax | SP-1000 |
| Column length (m) | 60. | 60. | 25. | 60. | 85. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.5 |
| Phase thickness (μm) | 0.3 | ||||
| Tstart (C) | 65. | 35. | 50. | 65. | 65. |
| Tend (C) | 225. | 220. | 200. | 225. | 225. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 20. | ||||
| I | 1468. | 1468. | 1443. | 1468. | 1468. |
| Reference | Brophy, Goldsack, et al., 1998 | Brophy, Goldsack, et al., 1998, 2 | Bicchi, Fresia, et al., 1997 | Brophy, Goldsack, et al., 1997 | Brophy, Goldsack, et al., 1997, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | DB-Wax | DB-Wax | Carbowax 20M | DB-Wax |
| Column length (m) | 50. | 25. | 60. | 50. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 | 0.2 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.2 | 0.20 |
| Tstart (C) | 60. | 50. | 50. | 30. | 70. |
| Tend (C) | 230. | 240. | 225. | 170. | 180. |
| Heat rate (K/min) | 2. | 4. | 2. | 4. | 2. |
| Initial hold (min) | 3. | 2. | 5. | ||
| Final hold (min) | 35. | 20. | 20. | ||
| I | 1455. | 1481. | 1456. | 1456. | 1475. |
| Reference | Mariotti, Costa, et al., 1997 | Möllenbeck, König, et al., 1997 | Sagrero-Nieves, Bartley, et al., 1997 | Píry, Príbela, et al., 1995 | Stashenko, Wiame, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 225. |
| Heat rate (K/min) | 1.5 |
| Initial hold (min) | |
| Final hold (min) | 80. |
| I | 1453. |
| Reference | Chen and Ho, 1988 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Lesueur, de Rocca Serra, et al., 2007
Lesueur, D.; de Rocca Serra, D.; Bighelli, A.; Hoi, T.M.; Ban, N.K.; Thai, T.H.; Casanova, J.,
Chemical composition and antibacterial activity of the essential oil of Michelia foveolata Merryll ex Dandy from Vietnam,
Flavour Fragr. J., 2007, 22, 4, 317-321, https://doi.org/10.1002/ffj.1799
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Maksimovic, Vidic, et al., 2007
Maksimovic, M.; Vidic, D.; Milos, M.; Solic, M.E.; Abadzic, S.; Siljak-Yakovlev, S.,
Effect of the environmental conditions on essential oil profile in two Dinaric Salvia species: S. brachyodon Vandas and S. officinalis L.,
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Maric, Jukic, et al., 2007
Maric, S.; Jukic, M.; Katalinic, V.; Milos, M.,
Comparison of chemical composition and free radical scavenging ability of glycosidically bound and free volatiles from Bosnian pine (Pinus heldreichii Christ. var. leucodermis),
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Paolini J., Costa J., et al., 2007
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Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR,
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Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
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Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
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Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil,
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Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent,
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Shellie, Marriott, et al., 2003
Shellie, R.; Marriott, P.; Zappia, G.; Mondello, L.; Dugo, G.,
Interactive use of linear retention indices on polar and apolar columns with an MS-Library for reliable characterization of Australian tea tree and other Melaleuca sp. oils,
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Chen, C.-C.; Ho, C.-T.,
Gas chromatographic analysis of volatile components of ginger oil (Zingiber officinale Roscoe) extracted with liquid carbon dioxide,
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Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
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