cis-β-Farnesene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12-
- IUPAC Standard InChIKey: JSNRRGGBADWTMC-QINSGFPZSA-N
- CAS Registry Number: 28973-97-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Stereoisomers:
- Other names: 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (Z)-; (Z)-β-Farnesene; (6Z)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene; β-cis-Farnesene; β-(Z)-Farnesene
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- Other data available:
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Normal alkane RI, non-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 | 5 % Phenyl polydimethyl siloxane | DB-5 | DB-1 | DB-5 | CP Sil 8 CB |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | Helium | Helium | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.32 | 0.25 | 0.25 | 0.25 | |
| Program | not specified | 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min) | not specified | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | 60C => 2.5C/min => 170C => 10C/min => 250C (5min) |
| I | 1442. | 1443. | 1458. | 1451. | 1443. |
| Reference | Chaverri, Diaz, et al., 2011 | Nezhadali and Parsa, 2010 | Xu, Tang, et al., 2010 | Courtois, Paine, et al., 2009 | Kristiawan, Sobolik, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 MS | CP Sil 8 CB | SE-52 | DB-5MS |
| Column length (m) | 50. | 30. | 50. | 30. | 30. |
| Carrier gas | Helium | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | |
| Program | 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C | 40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C |
| I | 1443. | 1440. | 1443. | 1443. | 1438. |
| Reference | Nivinsliene, Butkiene, et al., 2007 | Setzer, Stokes, et al., 2007 | Judzentiene and Buzelyte, 2006 | Tognolini, Barocelli, et al., 2006 | Bagci and Baser, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | SE-30 | DB-5 | HP-5 MS | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | He | Helium | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.1 | 0.25 | 0.25 | |
| Program | 40C(5min) => 3C/min => 90C => 10C/min => 280C | not specified | 35C => 4C/min => 180C => 20C/min => 280C | not specified | 45C => 3C/min => 175C => 15C/min => 240C (10min) |
| I | 1447. | 1442. | 1443. | 1426. | 1476. |
| Reference | Novak, Draxler, et al., 2005 | Vinogradov, 2004 | Viana, Andrade-Neto, et al., 2002 | Shang, Hu, et al., 2001 | Baratta, Dorman, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Methyl Silicone |
| Column length (m) | |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Program | not specified |
| I | 1442. |
| Reference | Zenkevich, 1996 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F.,
Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines,
J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018
. [all data]
Nezhadali and Parsa, 2010
Nezhadali, A.; Parsa, M.,
Study of the volatile compounds in Artemisia Sagebrush from Iran using HS/SPME/GC/MS,
Int. J. Environ. Sci. Development, 2010, 1, 3, 287-289, https://doi.org/10.7763/IJESD.2010.V1.56
. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1
. [all data]
Kristiawan, Sobolik, et al., 2008
Kristiawan, M.; Sobolik, V.; Al-Haddad, M.; Allaf, K.,
Effect of pressure-drop rate on the isolation of cananga oil using instantaneous controlled pressure-drop process,
Chem. Eng. Processing, 2008, 47, 1, 66-75, https://doi.org/10.1016/j.cep.2007.08.011
. [all data]
Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B.,
Influence of urban environment on chemical composition of Tilia cordata essential oil,
Chemija, 2007, 18, 1, 44-49. [all data]
Setzer, Stokes, et al., 2007
Setzer, W.N.; Stokes, S.L.; Penton, A.F.; Takaku, S.; Haber, W.A.; Hansell, E.; Caffrey, C.R.; McKerrow, J.H.,
Cruzain inhibitory activity of leaf essential oils of neotropical Lauraceae and essential oil components,
Natural Product Communications, 2007, 2, 12, 1203-1210. [all data]
Judzentiene and Buzelyte, 2006
Judzentiene, A.; Buzelyte, J.,
Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania,
Chemija, 2006, 17, 1, 12-15. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Bagci and Baser, 2005
Bagci, E.; Baser, K.H.C.,
Study of the essential oils of Thymus haussknechtii Velen and Thymus kotschyanus Boiss. et Hohen var. kotschyanus (Lamiaceae) taxa from the eastern Anatolian region in Turkey,
Flavour Fragr. J., 2005, 20, 2, 199-202, https://doi.org/10.1002/ffj.1397
. [all data]
Novak, Draxler, et al., 2005
Novak, J.; Draxler, L.; Göhler, I.; Franz, C.M.,
Essential oil composition of Vitex agnus-castus - comparison of accessions and different plant organs,
Flavour Fragr. J., 2005, 20, 2, 186-192, https://doi.org/10.1002/ffj.1404
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Viana, Andrade-Neto, et al., 2002
Viana, F.A.; Andrade-Neto, M.; Pouliquen, Y.B.M.; Lucien, V.G.,
Chemical composition of the essential oil from roots of Philodendron acutatum Schott.,
J. Essent. Oil Res., 2002, 14, 3, 172-174, https://doi.org/10.1080/10412905.2002.9699814
. [all data]
Shang, Hu, et al., 2001
Shang, C.; Hu, Y.; Deng, C.; Hu, K.,
Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography - mass spectrometry with solid-phase microextraction,
J. Chromatogr. A, 2001, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6
. [all data]
Baratta, Dorman, et al., 1998
Baratta, M.T.; Dorman, H.J.; Deans, S.G.; Figueiredo, A.C.; Barroso, J.G.; Ruberto, G.,
Antimicrobial and antioxidant properties of some commercial essential oils,
Flavour Fragr. J., 1998, 13, 4, 235-244, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<235::AID-FFJ733>3.0.CO;2-T
. [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]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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