Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: MXDMETWAEGIFOE-UHFFFAOYSA-N
- CAS Registry Number: 20307-84-0
- 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. - Other names: p-Menth-3-ene, 2-isopropenyl-1-vinyl-, (1S,2R)-(-)-; δ-EIemene; (3R-trans)-4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)cyclohexene; 3-Isopropenyl-1-isopropyl-4-methyl-4-vinyl-1-cyclohexene-, (3R-trans)-; Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R,4R)-; 3-Isopropenyl-1-isopropyl-4-methyl-4-vinyl-1-cyclohexene-, (3R,4R)-; (3R,4R)-1-Isopropyl-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohex-1-ene; δ-Elemene; σ-Elemene
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Kovats' 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 | BP-1 | BP-1 | DB-5MS | DB-5 | DB-5 |
Column length (m) | 25. | 30. | 30. | 30. | 30. |
Carrier gas | N2 | N2 | He | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 40. |
Tend (C) | 220. | 220. | 240. | 255. | 230. |
Heat rate (K/min) | 5. | 5. | 3. | 3. | 8. |
Initial hold (min) | |||||
Final hold (min) | 13. | 3. | 4. | ||
I | 1338. | 1334. | 1340. | 1339. | 1338.6 |
Reference | Raina, Verma, et al., 2006 | Srivastava, Srivastava, et al., 2006 | Maia, Andrade, et al., 2005 | Medina, Lucero, et al., 2005 | Ament K., Kant M.R., et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5MS | SPB-1 | BP-1 | SE-30 |
Column length (m) | 25. | 30. | 30. | 25. | 30. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 70. | 50. | 60. | 60. |
Tend (C) | 180. | 250. | 250. | 220. | 240. |
Heat rate (K/min) | 5. | 3. | 2. | 5. | 4. |
Initial hold (min) | 6. | 5. | 2. | ||
Final hold (min) | 15. | 5. | 15. | ||
I | 1337. | 1324. | 1329. | 1341. | 1328. |
Reference | Merle, Morón, et al., 2004 | Siani, Garrido, et al., 2004 | Yadav, Chauhan, et al., 2004 | Raina, Srivastava, et al., 2003 | Juliani, Koroch, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | BP-1 | SE-30 | DB-5 | HP-5MS |
Column length (m) | 60. | 25. | 25. | 30. | 30. |
Carrier gas | N2 | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.55 | 0.22 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 70. | 60. | 70. |
Tend (C) | 220. | 220. | 220. | 180. | 250. |
Heat rate (K/min) | 5. | 5. | 5. | 2. | 3. |
Initial hold (min) | 5. | ||||
Final hold (min) | 15. | ||||
I | 1332. | 1331. | 1328. | 1339. | 1330. |
Reference | Raina, Lal, et al., 2002 | Raina, Srivastava, et al., 2002 | Kardali, Velasco-Negueruela, et al., 2000 | Rao, Rout, et al., 2000 | Siani, Ramos, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | BPX-5 | SE-30 | OV-101 | SE-30 |
Column length (m) | 30. | 50. | 25. | 50. | 25. |
Carrier gas | He | N2 | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.2 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | ||
Tstart (C) | 60. | 60. | 60. | 80. | 60. |
Tend (C) | 240. | 185. | 180. | 200. | 180. |
Heat rate (K/min) | 3. | 2. | 3. | 2. | 3. |
Initial hold (min) | 10. | 10. | 10. | ||
Final hold (min) | 1. | 60. | 1. | ||
I | 1338. | 1339. | 1328. | 1339. | 1325. |
Reference | da Silva, Andrade, et al., 1999 | Fournier, Hadjiakhoondi, et al., 1997 | Jantan, Ahmad, et al., 1996 | Padrayuttawat, Tamura, et al., 1996 | Jantan, Ali, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | Methyl Silicone | BP-1 |
Column length (m) | 30. | 30. | 30. | 12. | 50. |
Carrier gas | H2 | ||||
Substrate | |||||
Column diameter (mm) | 0.5 | 0.33 | |||
Phase thickness (μm) | |||||
Tstart (C) | 40. | 40. | 40. | 70. | 65. |
Tend (C) | 210. | 210. | 210. | 250. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 4. | 5. |
Initial hold (min) | 2. | 2. | 2. | 2. | |
Final hold (min) | 120. | 120. | 120. | 15. | |
I | 1326. | 1342. | 1342. | 1370.5 | 1345. |
Reference | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 | Rao, Rajanikanth, et al., 1989 | Ekundayo, Laakso, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Raina, Verma, et al., 2006
Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K.,
Essential oil composition of Murraya exotica from the plains of northern India,
Flavour Fragr. J., 2006, 21, 1, 140-142, https://doi.org/10.1002/ffj.1547
. [all data]
Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V.,
Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India,
Flavour Fragr. J., 2006, 21, 3, 423-426, https://doi.org/10.1002/ffj.1680
. [all data]
Maia, Andrade, et al., 2005
Maia, J.G.S.; Andrade, E.H.A.; da Silva, A.C.M.; Oliveira, J.; Carreira, L.M.M.; Araújo, J.S.,
Leaf volatile oils from four Brazilian Xylopia species,
Flavour Fragr. J., 2005, 20, 5, 474-477, https://doi.org/10.1002/ffj.1499
. [all data]
Medina, Lucero, et al., 2005
Medina, A.L.; Lucero, M.E.; Holguin, F.O.; Estell, R.E.; Posakony, J.J.; Simon, J.; O'Connell, M.A.,
Composition and antimicrobial activity of Anemopsis californica leaf oil,
J. Agric. Food Chem., 2005, 53, 22, 8694-8698, https://doi.org/10.1021/jf0511244
. [all data]
Ament K., Kant M.R., et al., 2004
Ament K.; Kant M.R.; Sabelis M.W.; Haring M.A.; Schuurink R.C.,
Differential timing of spider mite-induced direct and indirect defenses in tomato plants,
Plant Physiol., 2004, 135, 1, 483-495, https://doi.org/10.1104/pp.103.038315
. [all data]
Merle, Morón, et al., 2004
Merle, H.; Morón, M.; Blázquez, A.; Boira, H.,
Taxonomical contribution of essential oils in mandarins cultivars,
Biochem. Syst. Ecol., 2004, 32, 5, 491-497, https://doi.org/10.1016/j.bse.2003.09.010
. [all data]
Siani, Garrido, et al., 2004
Siani, A.C.; Garrido, I.S.; Monteiro, S.S.; Carvalho, E.S.; Ramos, M.F.S.,
Protium icicariba as a source of volatile essences,
Biochem. Syst. Ecol., 2004, 32, 5, 477-489, https://doi.org/10.1016/j.bse.2003.11.003
. [all data]
Yadav, Chauhan, et al., 2004
Yadav, A.R.; Chauhan, A.S.; Rekha, M.N.; Rao, L.J.M.; Ramteke, R.S.,
Flavour quality of dehydrated lime [Citrus aurantifolia (Christm.) Swingle],
Food Chem., 2004, 85, 1, 59-62, https://doi.org/10.1016/j.foodchem.2003.06.002
. [all data]
Raina, Srivastava, et al., 2003
Raina, V.K.; Srivastava, S.K.; Syamasunder, K.V.,
Essential oil composition of Acorus calamus L. from the lower region of the Himalayas,
Flavour Fragr. J., 2003, 18, 1, 18-20, https://doi.org/10.1002/ffj.1136
. [all data]
Juliani, Koroch, et al., 2002
Juliani, H.R., Jr.; Koroch, A.R.; Juliani, H.R.; Trippi, V.S.; Zygadlo, J.A.,
Intraespecific variation in leafoils of Lippia junelliana (mold.) tronc,
Biochem. Syst. Ecol., 2002, 30, 2, 163-170, https://doi.org/10.1016/S0305-1978(01)00067-9
. [all data]
Raina, Lal, et al., 2002
Raina, V.K.; Lal, R.K.; Tripathi, S.; Khan, M.; Syamasundar, K.V.; Srivastava, S.K.,
Erratum. Essential oil composition of genetically diverse stocks of Murraya koenigii from India,
Flavour Fragr. J., 2002, 17, 5, 404, https://doi.org/10.1002/ffj.1139
. [all data]
Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K.,
Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India,
Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053
. [all data]
Kardali, Velasco-Negueruela, et al., 2000
Kardali, M.; Velasco-Negueruela, A.; Pérez-Alonso, M.,
Essential Oil Constituents of Sideritis ibanyezii Pau,
Botanica Complutensis, 2000, 24, 101-106. [all data]
Rao, Rout, et al., 2000
Rao, Y.R.; Rout, P.K.; Jena, K.S.; Sahu, S.B.,
Composition of essential oil of citronella (Cymbopogon winterianus jowitt) grown in coastal Orissa,
Fafai J., 2000, 2, 4, 29-31. [all data]
Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O.,
Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium,
J. Ethnopharmacol., 1999, 66, 1, 57-69, https://doi.org/10.1016/S0378-8741(98)00148-2
. [all data]
da Silva, Andrade, et al., 1999
da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Luz, A.I.R.; da Silva, J.D.; Maia, J.G.S.,
The essential oils of Lantana camara L. occurring in North Brazil,
Flavour Fragr. J., 1999, 14, 4, 208-210, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<208::AID-FFJ811>3.0.CO;2-F
. [all data]
Fournier, Hadjiakhoondi, et al., 1997
Fournier, G.; Hadjiakhoondi, A.; Leboeuf, M.; Cavé, A.; Charles, B.,
Essential oils of annonaceae. Part VII. Essential oils of Monanthotaxis declina (Sprague) verdcourt and Unonopsis guatterioides R. E. Fries,
Flavour Fragr. J., 1997, 12, 2, 95-98, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<95::AID-FFJ611>3.0.CO;2-Z
. [all data]
Jantan, Ahmad, et al., 1996
Jantan, I.; Ahmad, A.S.; Ahmad, A.R.; Ali, N.A.M.; Ayop, N.,
Chemical composition of some citrus oils from Malaysia,
J. Essent. Oil Res., 1996, 8, 6, 627-632, https://doi.org/10.1080/10412905.1996.9701030
. [all data]
Padrayuttawat, Tamura, et al., 1996
Padrayuttawat, A.; Tamura, H.; Yamao, M.,
A split injection system for the analysis of purge and trap headspace of the volatile components in Citrus sudachi,
J. Hi. Res. Chromatogr., 1996, 19, 6, 365-369, https://doi.org/10.1002/jhrc.1240190613
. [all data]
Jantan, Ali, et al., 1995
Jantan, I.; Ali, N.A.M.; Ahmad, A.S.; Ahmad, A.R.,
Constituents of the essential oil of Leptospermum javanicum blume from peninsular Malaysia,
Flavour Fragr. J., 1995, 10, 4, 255-258, https://doi.org/10.1002/ffj.2730100406
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Rao, Rajanikanth, et al., 1989
Rao, A.S.; Rajanikanth, B.; Seshadri, R.,
Volatile aroma components of Curcuma amada Roxb.,
J. Agric. Food Chem., 1989, 37, 3, 740-743, https://doi.org/10.1021/jf00087a036
. [all data]
Ekundayo, Laakso, et al., 1988
Ekundayo, O.; Laakso, I.; Adegbola, R.-M.; Oguntimein, B.; Sofowora, A.; Hiltunen, R.,
Essential oil constituents of Ashanti pepper (Piper guineense) fruits (berries),
J. Agric. Food Chem., 1988, 36, 5, 880-882, https://doi.org/10.1021/jf00083a001
. [all data]
Notes
Go To: Top, Kovats' 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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