Cyclohexene, 6-ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)-, (S)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10,12H,1,8-9H2,2-6H3/t15-/m1/s1
- IUPAC Standard InChIKey: QDUJKDRUFBJYSQ-OAHLLOKOSA-N
- CAS Registry Number: 5951-67-7
- 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: o-Menth-2-ene, 4-isopropylidene-1-vinyl-; α-Elemene; 1-Isopropyl-6-methyl-3-(1-methylethylidene)-6-vinyl-1-cyclohexene-, (S)-; (S)-6-ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)cyclohexene; (E)-α-Elemene
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| NIST MS number | 9214 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1490. | Jantan, Ahmad, et al., 1996 | N2, 60. C @ 10. min, 3. K/min, 180. C @ 1. min; Column length: 25. m; Column diameter: 0.2 mm |
| Capillary | SE-30 | 1490. | Jantan, Ali, et al., 1995 | N2, 60. C @ 10. min, 3. K/min, 180. C @ 1. min; Column length: 25. m; Column diameter: 0.2 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1505. | Radulovic, Mananjarasoa, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | SE-30 | 1490. | bin Jantan, Ayop, et al., 2002 | 25. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 3. K/min, 180. C @ 10. min |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 1635. | Jerkovic, Mastelic, et al., 2003 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 10. min |
| Capillary | HP-20M | 1687. | Radonic and Milso, 2003 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 5. K/min, 180. C @ 10. min |
| Capillary | Supelcowax-10 | 1685. | Granicher, Christen, et al., 1995 | 60. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 5. K/min, 230. C @ 20. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1469. | Sardashti, Valizadeh, et al., 2013 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 20. min |
| Capillary | CP Sil 5 CB | 1431. | Sayyah, Kamalinejad, et al., 2001 | 25. m/0.25 mm/0.39 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | CP-Sil 5 CB | 1431. | Sayyah, Kamalinejad, et al., 2001, 2 | 25. m/0.25 mm/0.39 μm, Nitrogen, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | Ultra-2 | 1488. | Khalilov L.M., Khalilova A.Z., et al., 1999 | 32. C @ 5. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 250. C |
| Capillary | SPB-5 | 1446. | Doneanu and Anitescu, 1998 | 50. m/0.32 mm/0.25 μm, He, 3. K/min, 240. C @ 20. min; Tstart: 60. C |
| Capillary | OV-1 | 1477. | Kökdil, Tanker, et al., 1997 | 30. m/0.32 mm/0.25 μm, 40. C @ 4. min, 2. K/min; Tend: 270. C |
| Capillary | OV-101 | 1489. | Tkachenko and Zenkevich, 1993 | Helium, 40. C @ 0. min, 3. K/min, 200. C @ 0. min; Column length: 52. m; Column diameter: 0.26 mm |
| Capillary | DB-1 | 1483. | Velasco-Negueruela, Pérez Alonso, et al., 1991 | N2, 4. K/min; Column length: 30. m; Tstart: 80. C; Tend: 220. C |
| Capillary | RSL-150 | 1487. | Ronse and De Pooter, 1990 | 30. m/0.32 mm/0.20 μm, 3. K/min; Tstart: 30. C; Tend: 200. C |
| Capillary | OV-1 | 1486. | de Pooter, Nicolai, et al., 1988 | 50. m/0.20 mm/0.20 μm, He, 2. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | OV-101 | 1486. | De Pooter and Schamp, 1986 | 30. m/0.5 mm/0.8 μm, He, 2. K/min; Tstart: 40. C; Tend: 220. C |
| Capillary | OV-101 | 1486. | De Pooter and Schamp, 1986 | 30. m/0.5 mm/0.8 μm, He, 2. K/min; Tstart: 40. C; Tend: 220. C |
| Capillary | OV-101 | 1485. | De Pooter and Schamp, 1986 | 30. m/0.5 mm/0.8 μm, He, 2. K/min; Tstart: 40. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1454. | Huang, Qin, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 10 0C/min -> 150 0C 15 0C/min -> 300 0C (10 min) |
| Capillary | SE-30 | 1486. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1486. | Zenkevich, 1996 | Program: not specified |
| Capillary | OV-1 | 1487. | De Pooter and Schamp, 1987 | 35. m/0.50 mm/1.5 μm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 1687. | Kulisic, Radonic, et al., 2005 | 50. m/0.20 mm/0.20 μm, Helium, 70. C @ 4. min, 4. K/min, 180. C @ 10. min |
| Capillary | Carbowax 20M | 1615. | Gaydou, Faure, et al., 1989 | 50. m/0.32 mm/0.15 μm, H2, 2. K/min; Tstart: 70. C; Tend: 210. C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Radulovic, Mananjarasoa, et al., 2006
Radulovic, N.; Mananjarasoa, E.; Harinantenaina, L.; Yoshinori, A.,
Essential oil composition of four Croton species from Madagascar and their chemotaxonomy,
Biochem. Syst. Ecol., 2006, 34, 8, 648-653, https://doi.org/10.1016/j.bse.2006.02.005
. [all data]
bin Jantan, Ayop, et al., 2002
bin Jantan, I.; Ayop, N.; Hiong, A.B.; Ahmad, A.S.,
Chemical composition of the essential oils of Cinnamomum cordatum Kosterm,
Flavour Fragr. J., 2002, 17, 3, 212-214, https://doi.org/10.1002/ffj.1075
. [all data]
Jerkovic, Mastelic, et al., 2003
Jerkovic, I.; Mastelic, J.; Milos, M.; Juteau, F.; Masotti, V.; Viano, J.,
Chemical variability of Artemisia vulgaris L. essential oils originated from the Mediterranean area of France and Croatia,
Flavour Fragr. J., 2003, 18, 5, 436-440, https://doi.org/10.1002/ffj.1246
. [all data]
Radonic and Milso, 2003
Radonic, A.; Milso, M.,
Chemical Composition and In Vitro Evaluation of Antioxidant Effect of Free Volatile Compounds From Satureja montana L.,
Free Radical Research, 2003, 37, 6, 673-679, https://doi.org/10.1080/1071576031000105643
. [all data]
Granicher, Christen, et al., 1995
Granicher, F.; Christen, P.; Kapetanidis, I.,
Essential oils from normal and hairy roots of valeriana officinalis var. sambucifolia,
Phytochemistry, 1995, 40, 5, 1421-1424, https://doi.org/10.1016/0031-9422(95)00492-P
. [all data]
Sardashti, Valizadeh, et al., 2013
Sardashti, A.R.; Valizadeh, J.; Adhami, Y.,
Variations in the essential oil composition of Peroskia abrotonolides of different growth stage in Baluchestan,
Middle-East J. Sci. Res., 2013, 13, 6, 781-784. [all data]
Sayyah, Kamalinejad, et al., 2001
Sayyah, M.; Kamalinejad, M.; Hidage, R.B.; Rustaiyan, A.,
Antiepileptic potential and composition of the fruit essential oil of Ferula Gummosa boiss., 2001, retrieved from http://ibj.pasteur.ac.ir/ibj11/sayyah.htm. [all data]
Sayyah, Kamalinejad, et al., 2001, 2
Sayyah, M.; Kamalinejad, M.; Hidage, R.B.; Rustaiyan, A.,
Antiepileptic potential and composition of the fruit essential oil of Ferula Gummosa boiss,
Iranian Biomed J., 2001, 5, 2-3, 69-72. [all data]
Khalilov L.M., Khalilova A.Z., et al., 1999
Khalilov L.M.; Khalilova A.Z.; Odinokov V.N.; Baltaev U.A.; Paramonov E.A.; Dzhemilev U.M.,
Identification and biological activity of the volatile organic substances emitted by plants and insects - II. Sesquiterpene composition of the native scent of leaves of the potato Solanum tuberosum,
Chem. Nat. Compd. (Engl. Transl.), 1999, 35, 4, 422-426, https://doi.org/10.1007/BF02282508
. [all data]
Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G.,
Supercritical carbon dioxide extraction of Angelica archangelica L. root oil,
J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5
. [all data]
Kökdil, Tanker, et al., 1997
Kökdil, G.; Tanker, M.; Kurucu, S.; Topcu, G.,
Essential oil analysis of Nepeta cilicia Boiss.,
Flavour Fragr. J., 1997, 12, 2, 99-101, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<99::AID-FFJ619>3.0.CO;2-#
. [all data]
Tkachenko and Zenkevich, 1993
Tkachenko, K.G.; Zenkevich, I.G.,
The Essential Oil of the Flowers of Heracleum antasiaticum Manden, Grown in Russia,
J. Essent. Oil Res., 1993, 5, 2, 227-228. [all data]
Velasco-Negueruela, Pérez Alonso, et al., 1991
Velasco-Negueruela, A.; Pérez Alonso, M.J.; Burzaco, A.,
Aceites esenciales de tomillos ibéricos. VI. Contribución al conocimiento del aceite esencial de thymus capitellatus Hoffmanns. Link,
Anales Jard. Bot. Madrid, 1991, 49, 1, 77-81. [all data]
Ronse and De Pooter, 1990
Ronse, A.C.; De Pooter, H.L.,
Essential Oil Production by Belgian Artemisia alba (Turra) before and after Micropropagation,
J. Essent. Oil Res., 1990, 2, 5, 237-242, https://doi.org/10.1080/10412905.1990.9697873
. [all data]
de Pooter, Nicolai, et al., 1988
de Pooter, H.L.; Nicolai, B.; De Laet, J.; De Buyck, L.F.; Schamp, N.M.; Goetghebeur, P.,
The Essential Oils of Five Nepeta Species. A Preliminary Evaluation of their Use in Chemotaxonomy by Cluster Analysis,
Flavour Fragr. J., 1988, 3, 4, 155-159, https://doi.org/10.1002/ffj.2730030404
. [all data]
De Pooter and Schamp, 1986
De Pooter, H.L.; Schamp, N.M.,
Comparison of the Volatile Composition of Some Calamintha/Satureja Species,
Prog. Essnt. Oil. Res., 1986, 139-150. [all data]
Huang, Qin, et al., 2009
Huang, B.; Qin, L.; Chu, Q.; Zhang, Q.; Gao, L.; Zheng, H.,
Comparison of headspace SPME with hydrodistillation and SFE for analysis of the volatile components of the roots of Valeriana officinalis var. latifolia,
Chromatographia, 2009, 69, 5/6, 489-496, https://doi.org/10.1365/s10337-008-0921-y
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Zenkevich, 1996
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Mass Spectral Identification. Mono- and Sesquiterpenes,
Rastitelnye Resursy (Plant resources), 1996, 34, 1-2, 48-58. [all data]
De Pooter and Schamp, 1987
De Pooter, H.L.; Schamp, N.M.,
The Essential Oil of Mentha X villosa nm. alopecuroides,
Flavour Fragr. J., 1987, 2, 4, 163-165, https://doi.org/10.1002/ffj.2730020405
. [all data]
Kulisic, Radonic, et al., 2005
Kulisic, T.; Radonic, A.; Milos, M.,
Inhibition of Lard Oxidation by Fractions of Different Essential Oil,
Grasas y Aceites, 2005, 56, 4, 284-291, https://doi.org/10.3989/gya.2005.v56.i4.94
. [all data]
Gaydou, Faure, et al., 1989
Gaydou, E.M.; Faure, R.; Bianchini, J.-P.; Lamaty, G.; Rakotonirainy, O.; Randriamiharisoa, R.,
Sesquiterpene composition of basil oil. Assignment of the 1H and 13C NMR spectra of β-elemene with two-dimensional NMR,
J. Agric. Food Chem., 1989, 37, 4, 1032-1037, https://doi.org/10.1021/jf00088a048
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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