α-Farnesene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: CXENHBSYCFFKJS-VDQVFBMKSA-N
- CAS Registry Number: 502-61-4
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (E,E)-; Farnesene; 2,6,10-Trimethyl-2,6,9,11-dodecatetraene, trans-; 3,7,11-Trimethyl-1,3,6,10-dodecatetraene, (trans,trans)-; (3E,6E)-3,7,11-Trimethyldodeca-1,3,6,10-tetraene; α-E,E-Farnesene; α-Farnesene, (E,E)-; α-trans-Farnesene; α-trans,trans-Farnesene; (3E,6E)- α-Farnesene; (E,E)-α-Farnesene; alpha-Farnesene; trans-α-Farnesene; trans,trans-α-Farnesene; 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (3E,6E)-; trans-2,6,10-Trimethyl-2,6,9,11-dodecatetraene; trans-3,7,11-Trimethyl-1,3,6,10-dodecatetraene; (E,E)-Farnesene; E,α-Farnesene; (E; E)-α-farnesene; α-Farnesene, (Z,E)-; 3,7,11-Trimethyl-1,3,6,10-dodecatetraene; E,E-α,α-farnesene; (E,E)-α-Fernesene; (E)-3, (E)-6-α-farnesene; α-farnesene (E); 2,6,10-trimethyldodeca-2,6,9,11-tetraene
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Van Den Dool and Kratz 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 | DB-5 | SE-52 | BPX-5 | VF-5MS | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | |
Program | 40C(2min) => 4C/min => 220C => 20C/min => 280C | 45C => 1C/min => 100C => 5C/min => 250C(10min) | 35C => 4C/min => 200C => 30C/min => 300C (3min) | 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C | not specified |
I | 1509. | 1508. | 1509. | 1469. | 1511. |
Reference | Andrade, Sampaio, et al., 2007 | Bruni, Bianchi, et al., 2007 | Dharmawan, Kasapis, et al., 2007 | Carasek and Pawliszyn, 2006 | Özel, Gögüs, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-52 | DB-5MS | SE-52 | DB-5MS | CP Sil 8 CB |
Column length (m) | 30. | 30. | 25. | 30. | 25. |
Carrier gas | He | He | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.15 | 0.25 | 0.43 | 0.25 | 0.25 |
Program | 45C => 1C/min => 100C => 5C/min => 250C(10min) | 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) | 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min) | 40C(5min) => 4C/min => 160C => 8C/min => 240C (15min) | 35C(2min) => 5C/min => 170C => 20C/min => 240C (10min) |
I | 1506. | 1506. | 1508. | 1510. | 1508. |
Reference | Bruni, Pellati, et al., 2005 | Zheng, Kim, et al., 2005 | Frizzo, Lorenzo, et al., 2004 | Kim, Lee, et al., 2003 | Fuhrmann and Grosch, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-5 | DB-1 | BPX-5 |
Column length (m) | 30. | 60. | 50. |
Carrier gas | He | He | He |
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 |
Program | 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) | -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C | 0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C |
I | 1496. | 1487. | 1518. |
Reference | Beaulieu and Grimm, 2001 | Eri, Khoo, et al., 2000 | Elmore, Erbahadir, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E.,
Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae),
Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751
. [all data]
Bruni, Bianchi, et al., 2007
Bruni, R.; Bianchi, A.; Bellardi, M.G.,
Essential oil composition of Agastache anethiodora Britton (Lamiaceae) infected by cucumber mosaic virus (CMV),
Flavour Fragr. J., 2007, 22, 1, 66-70, https://doi.org/10.1002/ffj.1760
. [all data]
Dharmawan, Kasapis, et al., 2007
Dharmawan, J.; Kasapis, S.; Curran, P.; Johnson, J.R.,
Characterization of volatile compounds in selected citrus fruits from Asia. Part I: freshly-squeezed juice,
Flavour Fragr. J., 2007, 22, 3, 228-232, https://doi.org/10.1002/ffj.1790
. [all data]
Carasek and Pawliszyn, 2006
Carasek, E.; Pawliszyn, J.,
Screening of Tropical Fruit Volatile Compounds Using Solid-Phase Microextraction (SPME) Fibers and Internally Cooled SPME Fiber,
J. Agric. Food Chem., 2006, 54, 23, 8688-8696, https://doi.org/10.1021/jf0613942
. [all data]
Özel, Gögüs, et al., 2006
Özel, M.Z.; Gögüs, F.; Lewis, A.C.,
Determination of Teucrium chamaedrys volatiles by using direct thermal desorption-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry,
J. Chromatogr. A, 2006, 1114, 1, 164-169, https://doi.org/10.1016/j.chroma.2006.02.036
. [all data]
Bruni, Pellati, et al., 2005
Bruni, R.; Pellati, F.; Grazia Bellardi, M.; Benvenuti, S.; Paltrinieri, S.; Bertaccini, A.; Bianchi, A.,
Herbal drug quality and phytochemical composition of Hypericum perforatum L. affected by ash yellows phytoplasma infection,
J. Agric. Food Chem., 2005, 53, 4, 964-968, https://doi.org/10.1021/jf0487654
. [all data]
Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J.,
Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves,
J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975
. [all data]
Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E.,
Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil,
J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x
. [all data]
Kim, Lee, et al., 2003
Kim, T.H.; Lee, S.M.; Kim, Y.-S.; Kim, K.H.; Oh, S.; Lee, H.J.,
Aroma dilution method using GC injector split ratio for volatile compounds extracted by headspace solid phase microextraction,
Food Chem., 2003, 83, 1, 151-158, https://doi.org/10.1016/S0308-8146(03)00221-8
. [all data]
Fuhrmann and Grosch, 2002
Fuhrmann, E.; Grosch, W.,
Character impact odorants of the apple cultivars Elstar and Cox Orange,
Nahrung/Food, 2002, 46, 3, 187-193, https://doi.org/10.1002/1521-3803(20020501)46:3<187::AID-FOOD187>3.0.CO;2-5
. [all data]
Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C.,
Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction,
J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768
. [all data]
Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G.,
Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization,
J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850
. [all data]
Elmore, Erbahadir, et al., 1997
Elmore, J.S.; Erbahadir, M.A.; Mottram, D.S.,
Comparison of dynamic headspace concentration on Tenax with solid phase microextraction for the analysis of aroma volatiles,
J. Agric. Food Chem., 1997, 45, 7, 2638-2641, https://doi.org/10.1021/jf960835m
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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