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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Kovats' 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-5MS | SPB-1 | SPB-1 | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | H2 | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 40C (3min) => 5C/min => 160C (2min) => 10C/min => 280C (10min) | not specified | not specified | 60 0C (8 min) 3 K/min -> 180 0C 20 K/min (20 min) | not specified |
I | 1524. | 1492. | 1492. | 1508. | 1508. |
Reference | Radulescu, Chiliment, et al., 2004 | Riu-Aumatell, Castellari, et al., 2004 | Riu-Aumatell, Castellari, et al., 2004 | Frizzo, Serafini, et al., 2001 | Moreira, Sousa, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | SE-54 | DB-5 | DB-5 | SF-96 |
Column length (m) | 50. | 30. | 30. | 150. |
Carrier gas | He | |||
Substrate | ||||
Column diameter (mm) | 0.21 | 0.26 | 0.25 | 0.75 |
Phase thickness (μm) | 0.25 | 0.25 | ||
Program | 50C (10min) => 2C/min => 75C => 3C/min => 150C => 5C/min => 200C | not specified | 40C => 2C/min => 60C => 4C/min => 240C | not specified |
I | 1514. | 1508. | 1506. | 1501. |
Reference | Janzanntti, Franco, et al., 2000 | Adams, 1998 | Santos, Andrade, et al., 1998 | Malingré and Maarse, 1974 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Radulescu, Chiliment, et al., 2004
Radulescu, V.; Chiliment, S.; Oprea, E.,
Capillary gas chromatography-mass spectrometry of volatile and semi-volatile compounds of Salvia officinalis,
J. Chromatogr. A, 2004, 1027, 1-2, 121-126, https://doi.org/10.1016/j.chroma.2003.11.046
. [all data]
Riu-Aumatell, Castellari, et al., 2004
Riu-Aumatell, M.; Castellari, M.; López-Tamames, E.; Galassi, S.; Buxaderas, S.,
Characterisation of volatile compounds of fruit juices and nectars by HS/SPME and GC/MS,
Food Chem., 2004, 87, 4, 627-637, https://doi.org/10.1016/j.foodchem.2003.12.033
. [all data]
Frizzo, Serafini, et al., 2001
Frizzo, C.D.; Serafini, L.A.; Dellacassa, E.; Lorenzo, D.; Moyna, P.,
Essential oil of Baccharis uncinella DC. from Southern Brazil,
Flavour Fragr. J., 2001, 16, 4, 286-288, https://doi.org/10.1002/ffj.998
. [all data]
Moreira, Sousa, et al., 2001
Moreira, D.L.; Sousa, P.O.; Pereira, N.A.; Cardoso, G.L.,
Effect of leaf essential oil from Piper solmsianum C.DC. in mice behaviour,
An. Acad. Bras. Cienc., 2001, 73, 1, 1-7, https://doi.org/10.1590/S0001-37652001000100004
. [all data]
Janzanntti, Franco, et al., 2000
Janzanntti, N.S.; Franco, M.R.B.; Lanças, F.M.,
Identificação de compostos voláteis de maçãs (Malus domestica) cultivar fuji, por cromatografia gasosa-espectrometria de massas,
Cienc. Tecnol. Aliment., 2000, 20, 2, 164-171, retrieved from http://www.scielo.br/scielo.php?script=sciarttextpid=S0101-20612000000200007lng=ptnrm=iso. [all data]
Adams, 1998
Adams, R.P.,
The essential oils and chemotaxonomy of Juniperus sect. Juniperus,
Biochem. Syst. Ecol., 1998, 26, 6, 637-645, https://doi.org/10.1016/S0305-1978(98)00020-9
. [all data]
Santos, Andrade, et al., 1998
Santos, A.S.; Andrade, E.H.A.; Zoghbi, M.G.B.; Maia, J.G.S.,
Volatile constituents of fruits of Annona glabra L. from Brazil,
Flavour Fragr. J., 1998, 13, 3, 148-150, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<148::AID-FFJ711>3.0.CO;2-Y
. [all data]
Malingré and Maarse, 1974
Malingré, T.M.; Maarse, H.,
Composition of the essential oil of Mentha aquatica,
Phytochemistry, 1974, 13, 8, 1531-1535, https://doi.org/10.1016/0031-9422(74)80322-5
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
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