α-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/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
- 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, temperature ramp
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-5 | BP-1 | CP Sil 8 CB | DB-1 | DB-5 |
| Column length (m) | 25. | 25. | 30. | 50. | 30. |
| Carrier gas | N2 | H2 | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 95. | 60. |
| Tend (C) | 240. | 220. | 220. | 240. | 240. |
| Heat rate (K/min) | 3. | 5. | 3. | 4. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 13. | 30. | |||
| I | 1509. | 1497. | 1499. | 1505. | 1509. |
| Reference | Oliveira, Leitao, et al., 2006 | Raina, Verma, et al., 2006 | Schwob, Bessiere, et al., 2004 | Velasco-Negueruela, Sanz, et al., 2004 | Marongiu, Piras, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PTE-5 | PTE-5 | DB-5 | DB-1 | HP-1 |
| Column length (m) | 60. | 60. | 30. | 50. | 50. |
| Carrier gas | H2 | H2 | H2 | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.20 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.39 | 0.39 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 80. | 100. |
| Tend (C) | 285. | 285. | 240. | 225. | 250. |
| Heat rate (K/min) | 4.3 | 4.3 | 3. | 4. | 5. |
| Initial hold (min) | 7. | ||||
| Final hold (min) | |||||
| I | 1510. | 1511. | 1505. | 1485. | 1495. |
| Reference | Gudzic, Dordevic, et al., 2001 | Gudzic, Dordevic, et al., 2001 | Moreira, Sousa, et al., 2001 | Palá-Paúl, Velasco-Negueruela, et al., 2001 | Raina, Srivastava, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | SE-54 | HP-5MS | DB-5 | DB-5 |
| Column length (m) | 30. | 50. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.21 | 0.25 | 0.26 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 80. | 60. | 60. | 60. |
| Tend (C) | 240. | 200. | 280. | 246. | 240. |
| Heat rate (K/min) | 3. | 2. | 3. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1508. | 1522. | 1507. | 1508. | 1508. |
| Reference | Adams, 2000 | Janzanntti, Franco, et al., 2000 | Roussis, Tsoukatou, et al., 2000 | Adams, 1999 | da Silva, Andrade, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | OV-101 | SE-30 |
| Column length (m) | 30. | 30. | 30. | 50. | 25. |
| Carrier gas | He | He | He | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | |
| Tstart (C) | 60. | 40. | 60. | 80. | 60. |
| Tend (C) | 240. | 250. | 240. | 200. | 180. |
| Heat rate (K/min) | 4. | 2. | 4. | 2. | 3. |
| Initial hold (min) | 5. | 10. | |||
| Final hold (min) | 20. | 60. | 1. | ||
| I | 1509. | 1522. | 1504. | 1495. | 1499. |
| Reference | da Silva, Zoghbi, et al., 1999 | de Feo, Porta, et al., 1998 | Zoghbi, Andrade, et al., 1998 | Padrayuttawat, Tamura, et al., 1996 | Jantan, Ali, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | DB-1 | OV-101 |
| Column length (m) | 60. | 60. | 60. | 60. | 100. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.3 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.15 |
| Tstart (C) | 30. | 30. | 30. | 30. | 90. |
| Tend (C) | 210. | 210. | 210. | 210. | 220. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 4. | 4. | 4. | 4. | |
| Final hold (min) | |||||
| I | 1495. | 1496. | 1500. | 1495. | 1498. |
| Reference | Takeoka, Buttery, et al., 1992 | Takeoka, Buttery, et al., 1992 | Takeoka, Buttery, et al., 1992 | Takeoka, Buttery, et al., 1992 | Gaydou, Randriamiharisoa, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | OV-101 |
| Column length (m) | 70. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.28 |
| Phase thickness (μm) | |
| Tstart (C) | 80. |
| Tend (C) | 200. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1495. |
| Reference | Yamaguchi and Shibamoto, 1979 |
| Comment | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Oliveira, Leitao, et al., 2006
Oliveira, D.R.; Leitao, G.G.; Santos, S.S.; Bizzo, H.R.; Lopes, D.; Alviano, C.S.; Alviano, D.S.; Leitao, S.G.,
Ethnopharmacological study of two Lippia species from Oriximina, Brazil,
J. Ethnopharmacol., 2006, 108, 1, 103-108, https://doi.org/10.1016/j.jep.2006.04.018
. [all data]
Raina, Verma, et al., 2006
Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K.,
Essential oil composition of Murraya exotica from the plains of northern India,
Flavour Fragr. J., 2006, 21, 1, 140-142, https://doi.org/10.1002/ffj.1547
. [all data]
Schwob, Bessiere, et al., 2004
Schwob, I.; Bessiere, J.-M.; Masotti, V.; Viano, J.,
Changes in essential oil composition in Saint John's wort (Hypericum perforatum L.) aerial parts during its phenological cycle,
Biochem. Syst. Ecol., 2004, 32, 8, 735-745, https://doi.org/10.1016/j.bse.2003.12.005
. [all data]
Velasco-Negueruela, Sanz, et al., 2004
Velasco-Negueruela, A.; Sanz, J.; Pérez-Alonso, M.J.; Palá-Paúl, J.,
The volatile components of the aerial parts of Melittis melissophyllum L. subsp. melissophyllum gathered in Spain,
Botanica Complutensis, 2004, 28, 133-136. [all data]
Marongiu, Piras, et al., 2003
Marongiu, B.; Piras, A.; Pani, F.; Porcedda, S.; Ballero, M.,
Extraction, separation and isolation of essential oils from natural matrices by supercritical CO2,
Flavour Fragr. J., 2003, 18, 6, 505-509, https://doi.org/10.1002/ffj.1258
. [all data]
Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G.,
Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978
. [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]
Palá-Paúl, Velasco-Negueruela, et al., 2001
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J.,
Analysis of the volatile components of Argyranthemum adauctum (Link.) Humphries by gas chromatography-mass spectrometry,
J. Chromatogr. A, 2001, 923, 1-2, 295-298, https://doi.org/10.1016/S0021-9673(01)01003-2
. [all data]
Raina, Srivastava, et al., 2001
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Syamasundar, K.V.; Kumar, S.,
Essential oil composition of Syzygium aromaticum leaf from Little Andaman, India,
Flavour Fragr. J., 2001, 16, 5, 334-336, https://doi.org/10.1002/ffj.1005
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7
. [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]
Roussis, Tsoukatou, et al., 2000
Roussis, V.; Tsoukatou, M.; Petrakis, P.V.; Chinou, I.; Skoula, M.; Harborne, J.B.,
Volatile constituents of four Helichrysum species growing in Greece,
Biochem. Syst. Ecol., 2000, 28, 2, 163-175, https://doi.org/10.1016/S0305-1978(99)00046-0
. [all data]
Adams, 1999
Adams, R.P.,
Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2
. [all data]
da Silva, Andrade, et al., 1999
da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Luz, A.I.R.; da Silva, J.D.; Maia, J.G.S.,
The essential oils of Lantana camara L. occurring in North Brazil,
Flavour Fragr. J., 1999, 14, 4, 208-210, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<208::AID-FFJ811>3.0.CO;2-F
. [all data]
da Silva, Zoghbi, et al., 1999
da Silva, M.H.L.; Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S.,
The essential oils of Peperomia pellucida Kunth and P. circinnata link var. circinnata,
Flavour Fragr. J., 1999, 14, 5, 312-314, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<312::AID-FFJ835>3.0.CO;2-B
. [all data]
de Feo, Porta, et al., 1998
de Feo, V.; Porta, G.D.; Urrunaga Soria, E.; Urrunaga Soria, R.; Senatore, F.,
Composition of the essential oil of Tagetes filifolia Lag.,
Flavour Fragr. J., 1998, 13, 3, 145-147, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<145::AID-FFJ707>3.0.CO;2-Q
. [all data]
Zoghbi, Andrade, et al., 1998
Zoghbi, M.G.B.; Andrade, E.H.A.; Santos, A.S.; Silva, M.H.L.; Maia, J.G.S.,
Essential oils of Lippia alba (Mill.) N. E. Br growing wild in the Brazilian Amazon,
Flavour Fragr. J., 1998, 13, 1, 47-48, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<47::AID-FFJ690>3.0.CO;2-0
. [all data]
Padrayuttawat, Tamura, et al., 1996
Padrayuttawat, A.; Tamura, H.; Yamao, M.,
A split injection system for the analysis of purge and trap headspace of the volatile components in Citrus sudachi,
J. Hi. Res. Chromatogr., 1996, 19, 6, 365-369, https://doi.org/10.1002/jhrc.1240190613
. [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]
Takeoka, Buttery, et al., 1992
Takeoka, G.R.; Buttery, R.G.; Flath, R.A.,
Volatile constituents of Asian pear (Pyrus serotina),
J. Agric. Food Chem., 1992, 40, 10, 1925-1929, https://doi.org/10.1021/jf00022a040
. [all data]
Gaydou, Randriamiharisoa, et al., 1986
Gaydou, E.M.; Randriamiharisoa, R.; Bianchini, J.-P.,
Composition of the essential oil of ylang-ylang (Canaga odorata Hook Fil. et Thomson forma genuina) from Madagascar,
J. Agric. Food Chem., 1986, 34, 3, 481-487, https://doi.org/10.1021/jf00069a028
. [all data]
Yamaguchi and Shibamoto, 1979
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of Castanopsis flower,
J. Agric. Food Chem., 1979, 27, 4, 847-850, https://doi.org/10.1021/jf60224a025
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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