1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3α,3aβ,7β,8aα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m0/s1
- IUPAC Standard InChIKey: IRAQOCYXUMOFCW-KYEXWDHISA-N
- CAS Registry Number: 469-61-4
- 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. - Stereoisomers:
- Other names: Cedr-8-ene; α-Cedrene; (3R,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene; (-)-α-Cedrene; [3R-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
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- Other data available:
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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 | HP-Innowax | DB-Wax | BP-20 | Carbowax 20M | DB-Wax |
| Column length (m) | 30. | 60. | 50. | 50. | 60. |
| Carrier gas | Nitrogen | N2 | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 70. | 60. | 60. | 70. |
| Tend (C) | 280. | 230. | 220. | 250. | 230. |
| Heat rate (K/min) | 5. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 1. | 2. | 60. | 2. | |
| Final hold (min) | 1. | 20. | 20. | 20. | |
| I | 1587. | 1574. | 1563. | 1608. | 1571. |
| Reference | Bousaada, Ammar, et al., 2008 | Choi, 2006 | Lesueur, Ban, et al., 2006 | Fernandez, Lizzani-Cuvelier, et al., 2005 | Njoroge, Koaze, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | CP-Wax 52CB | DB-Wax | DB-Wax | Supelcowax-10 |
| Column length (m) | 30. | 30. | 60. | 60. | 60. |
| Carrier gas | He | He | N2 | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Tstart (C) | 40. | 40. | 70. | 70. | 60. |
| Tend (C) | 220. | 220. | 230. | 230. | 200. |
| Heat rate (K/min) | 4. | 4. | 2. | 2. | 4. |
| Initial hold (min) | 1. | 1. | 2. | 2. | |
| Final hold (min) | 20. | 20. | 40. | ||
| I | 1582. | 1582. | 1572. | 1572. | 1556. |
| Reference | Rohloff and Bones, 2005 | Rohloff and Bones, 2005 | Choi, 2004 | Choi, 2004, 2 | Gauvin, Ravaomanarivo, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | HP-Innowax | HP-Innowax | DB-Wax | Carbowax |
| Column length (m) | 30. | 50. | 50. | 60. | 50. |
| Carrier gas | He | N2 | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.2 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.2 | 0.2 | 0.25 | |
| Tstart (C) | 60. | 50. | 50. | 70. | 80. |
| Tend (C) | 240. | 220. | 220. | 230. | 200. |
| Heat rate (K/min) | 4. | 4. | 4. | 2. | 1. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 20. | ||||
| I | 1611. | 1600. | 1599. | 1577. | 1600. |
| Reference | Cabanillas, Lopez, et al., 2003 | Stashenko, Jaramillo, et al., 2003 | Stashenko, Jaramillo, et al., 2003 | Tu, Thanh, et al., 2002 | Menon, Chacko, et al., 1999 |
| 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 | Supelcowax-10 | Supelcowax-10 |
| Column length (m) | 60. | 60. | 60. | 30. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 60. | 50. | 50. | 50. | 50. |
| Tend (C) | 240. | 180. | 230. | 240. | 240. |
| Heat rate (K/min) | 4. | 2.5 | 4. | 4. | 4. |
| Initial hold (min) | 5. | 2. | 2. | ||
| Final hold (min) | 10. | 10. | 10. | ||
| I | 1582. | 1601. | 1565. | 1578. | 1578. |
| Reference | Ngassoum, Yonkeu, et al., 1999 | Stashenko, Puertas, et al., 1996 | Binder, Benson, et al., 1990 | Ramaswami, Briscese, et al., 1988 | Ramaswami, Briscese, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M |
| Column length (m) | 100. | 100. |
| Carrier gas | ||
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | ||
| Tstart (C) | 70. | 70. |
| Tend (C) | 170. | 170. |
| Heat rate (K/min) | 1. | 1. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1600. | 1600. |
| Reference | Shibamoto and Jennings, 1977 | Shibamoto and Jennings, 1977 |
| 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.
Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z.,
Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia,
Microbiol. Res., 2008, 163, 1, 87-95, https://doi.org/10.1016/j.micres.2007.02.010
. [all data]
Choi, 2006
Choi, H.-S.,
Headspace analyses of fresh leaves and stems of Angelica gigas Nakai, a Korean medicinal herb,
Flavour Fragr. J., 2006, 21, 4, 604-608, https://doi.org/10.1002/ffj.1602
. [all data]
Lesueur, Ban, et al., 2006
Lesueur, D.; Ban, N.K.; Bighelli, A.; Muselli, A.; Casanova, J.,
Analysis of the root oil of Fokienia hodginsii (Dunn) Henry et Thomas (Cupressaceae) by GC, GC-MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 171-174, https://doi.org/10.1002/ffj.1557
. [all data]
Fernandez, Lizzani-Cuvelier, et al., 2005
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F.,
Chemical composition of the essential oils from Turkish and Honduras Styrax,
Flavour Fragr. J., 2005, 20, 1, 70-73, https://doi.org/10.1002/ffj.1370
. [all data]
Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M.,
Essential oil constituents of three varieties of Kenyan sweet oranges (Citrus sinensis),
Flavour Fragr. J., 2005, 20, 1, 80-85, https://doi.org/10.1002/ffj.1377
. [all data]
Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M.,
Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication,
Phytochemistry, 2005, 66, 16, 1941-1955, https://doi.org/10.1016/j.phytochem.2005.06.021
. [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]
Gauvin, Ravaomanarivo, et al., 2004
Gauvin, A.; Ravaomanarivo, H.; Smadja, J.,
Comparative analysis by gas chromatography?mass spectrometry of the essential oils from bark and leaves of Cedrelopsis grevei Baill, an aromatic and medicinal plant from Madagascar,
J. Chromatogr. A, 2004, 1029, 1-2, 279-282, https://doi.org/10.1016/j.chroma.2003.12.012
. [all data]
Cabanillas, Lopez, et al., 2003
Cabanillas, C.M.; Lopez, M.L.; Daniele, G.; Zygadlo, J.A.,
Essential oil composition of Aloysia polystachya (Griseb.) Moldenke under rust disease,
Flavour Fragr. J., 2003, 18, 5, 446-448, https://doi.org/10.1002/ffj.1249
. [all data]
Stashenko, Jaramillo, et al., 2003
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
Comparación de la composición química y de la actividad antioxidante in vitro de los metabolitos secundarios volátiles de plantas de la familia verbenaceae,
Rev. Acad. Colomb. Cienc. Exactas Fis. Nat., 2003, 27, 105, 579-597. [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]
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]
Ngassoum, Yonkeu, et al., 1999
Ngassoum, M.B.; Yonkeu, S.; Jirovetz, L.; Buchbauer, G.; Schmaus, G.; Hammerschmidt, F.-J.H.,
Chemical composition of essential oils of Lantana camara leaves and flowers from Cameroon and Madagascar,
Flavour Fragr. J., 1999, 14, 4, 245-250, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<245::AID-FFJ819>3.0.CO;2-X
. [all data]
Stashenko, Puertas, et al., 1996
Stashenko, E.E.; Puertas, M.A.; Combariza, M.Y.,
Volatile secondary metabolites from Spilanthes americana obtained by simultaneous steam distillation--solvent extraction and supercritical fluid extraction,
J. Chromatogr. A, 1996, 752, 1-2, 223-232, https://doi.org/10.1016/S0021-9673(96)00480-3
. [all data]
Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A.,
Volatile Components of Safflower,
J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020
. [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]
Shibamoto and Jennings, 1977
Shibamoto, T.; Jennings, W.G.,
The volatile composition of the leaf oil of California Juniper (J. californica Carr.)
in Proceedings of VII International Congress of Essential Oils, October 7-11, 1977, Kyoto, Japan, 1977, 413-418. [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
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