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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Gas Chromatography
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
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, 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, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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