1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R*,S*)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: KKOXKGNSUHTUBV-UHFFFAOYSA-N
- CAS Registry Number: 495-60-3
- 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: (-)-Zingiberene; l-Zingiberene; Zingiberene; α-Zingiberene; 5-(1,5-Dimethyl-4-hexenyl)-2-methyl-1,3-cyclohexadiene; α-zingibirene; [S-(R*,S*)]-5-(1,5-dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene
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Normal alkane RI, polar column, custom temperature program
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 | Supelcowax-10 | HP-Innowax FSC | HP-Innowax FSC | HP-Innowax FSC |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | Helium | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 50 0C (5 min) 3 0C/min -> 210 0C (10 min) 3 0C/min -> 230 0C | 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min) | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
I | 1681. | 1735. | 1726. | 1726. | 1725. |
Reference | Sun, Hua, et al., 2010 | Vichi, Guadayol, et al., 2007 | Kürkçüoglu, Hüsnü Can Baser, et al., 2006 | Suleimenov Y.M., Atazhanova G.A., et al., 2006 | Tabanca, Demirci, 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 | HP-Innowax | HP-Innowax FSC | Carbowax 20M | Carbowax 20M |
Column length (m) | 30. | 60. | 60. | ||
Carrier gas | He | N2 | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 40C(3min) => 4C/min => 75C => 8C/min => 260C(5min) | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | not specified |
I | 1732. | 1726. | 1725. | 1733. | 1738. |
Reference | Vichi, Guadayol, et al., 2006 | Duman, Kartal, et al., 2005 | Tabanca, Demirci, et al., 2005 | Vinogradov, 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | Innowax FSC | Innowax FSC |
Column length (m) | 60. | 60. |
Carrier gas | He | He |
Substrate | ||
Column diameter (mm) | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 |
Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1726. | 1726. |
Reference | Baser, Demirei, et al., 2002 | Kirimer, Tabanca, et al., 2000 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sun, Hua, et al., 2010
Sun, Q.-L.; Hua, S.; Ye, J.-H.; Zheng, X.-Q.; Liang, Y.-R.,
Flavonoids and volatiles in Chrysanthemum morifolium Ramat flower from Tongxiang County in China,
Afr. J. Biotechnol., 2010, 9, 25, 3817-3821. [all data]
Vichi, Guadayol, et al., 2007
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S.,
Analytical, Nutritional, and Clinical Methods. Comparative study of different extraction techniques for the analysis of virgin olive oil aroma,
Food Chem., 2007, 105, 3, 1171-1178, https://doi.org/10.1016/j.foodchem.2007.02.018
. [all data]
Kürkçüoglu, Hüsnü Can Baser, et al., 2006
Kürkçüoglu, M.; Hüsnü Can Baser, K.; Iscan, G.; Malyer, H.; Kaynak, G.,
Composition and anticandidal activity of the essential oil of Chaerophyllum byzantinum Boiss.,
Flavour Fragr. J., 2006, 21, 1, 115-117, https://doi.org/10.1002/ffj.1539
. [all data]
Suleimenov Y.M., Atazhanova G.A., et al., 2006
Suleimenov Y.M.; Atazhanova G.A.; Ozek T.; Demirci B.; Kulyyasov A.T.; Adekenov S.M.; Baser K.H.C.,
Essential oil composition of three species of Achillea from Kazakhstan,
Chem. Nat. Compd. (Engl. Transl.), 2006, 37, 5, 447-450, https://doi.org/10.1023/A:1014471326724
. [all data]
Tabanca, Demirci, et al., 2006
Tabanca, N.; Demirci, B.; Ozek, T.; Kirimer, N.; Can Baser, K.H.; Bedir, E.; Khan, I.A.; Wedge, D.E.,
Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella species gathered from Central and Northern Turkey,
J. Chromatogr. A, 2006, 1117, 2, 194-205, https://doi.org/10.1016/j.chroma.2006.03.075
. [all data]
Vichi, Guadayol, et al., 2006
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S.,
Monoterpene and sesquiterpene hydrocarbons of virgin olive oil by headspace solid-phase microextraction coupled to gas chromatography/mass spectrometry,
J. Chromatogr. A, 2006, 1125, 1, 117-123, https://doi.org/10.1016/j.chroma.2006.05.029
. [all data]
Duman, Kartal, et al., 2005
Duman, H.; Kartal, M.; Altun, L.; Demirci, B.; Baser, K.H.C.,
The essential oil of Stachys laetivirens Kotschy Boiss. ex Rech. fil., endemic in Turkey,
Flavour Fragr. J., 2005, 20, 1, 48-50, https://doi.org/10.1002/ffj.1362
. [all data]
Tabanca, Demirci, et al., 2005
Tabanca, N.; Demirci, B.; Kirimer, N.; Baser, K.H.C.; Bedir, E.; Khand, I.A.; Wedge, D.E.,
Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella aurea, Pimpinella corymbosa, Pimpinella peregrina and Pimpinella puberula gathered from Eastern and Southern Turkey,
J. Chromatogr. A, 2005, 1097, 1-2, 192-198, https://doi.org/10.1016/j.chroma.2005.10.047
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Baser, Demirei, et al., 2002
Baser, K.H.C.; Demirei, B.; Özek, T.; Akalin, E.; Özhatay, N.,
Micro-distilled volatile compounds from Ferulago species growing in Western Turkey,
Pharm. Biol., 2002, 40, 6, 466-471, https://doi.org/10.1076/phbi.40.6.466.8439
. [all data]
Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C.,
Essential oils of annual Sideritis species growing in Turkey,
Pharm. Biol., 2000, 38, 2, 106-111, https://doi.org/10.1076/1388-0209(200004)3821-1FT106
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
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