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
- Information on this page:
- Other data available:
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Van Den Dool and Kratz RI, 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 | BP-20 | RTX-Wax | HP-20M | HP-Innowax | HP-Wax |
| Column length (m) | 50. | 60. | 50. | 30. | 30. |
| Carrier gas | He | He | Helium | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.20 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.20 | 0.5 | 0.25 |
| Tstart (C) | 60. | 60. | 70. | 60. | 60. |
| Tend (C) | 220. | 230. | 180. | 260. | 220. |
| Heat rate (K/min) | 2. | 2. | 4. | 3. | 5. |
| Initial hold (min) | 4. | 10. | |||
| Final hold (min) | 20. | 35. | 15. | ||
| I | 1747. | 1746. | 1725. | 1723. | 1727. |
| Reference | Boti, Koukoua, et al., 2007 | Paolini, Muselli, et al., 2007 | Politeo, Jukic, et al., 2007 | Saroglou, Marin, et al., 2007 | Flamini, Tebano, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | DB-Wax | DB-Wax | DB-Wax | RTX-Wax |
| Column length (m) | 50. | 30. | 30. | 60. | 60. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 40. | 70. | 60. |
| Tend (C) | 220. | 250. | 250. | 230. | 230. |
| Heat rate (K/min) | 2. | 3. | 3. | 2. | 2. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 20. | 20. | 20. | 20. | 35. |
| I | 1753. | 1736. | 1740. | 1764. | 1744. |
| Reference | Boti J.B., Koukoua G., et al., 2005 | Fanciullino, Gancel, et al., 2005 | Gancel, Ollitrault, et al., 2005 | Njoroge, Koaze, et al., 2005 | Paolini, Costa, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | DB-Wax | HP-Wax | DB-Wax | HP-Wax |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | He | N2 | N2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 32. | 60. |
| Tend (C) | 240. | 220. | 220. | 220. | 240. |
| Heat rate (K/min) | 3. | 5. | 5. | 3. | 3. |
| Initial hold (min) | 5. | 10. | 10. | ||
| Final hold (min) | 10. | ||||
| I | 1747. | 1733. | 1736. | 1745. | 1748. |
| Reference | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Bertoli, Menichini, et al., 2004 | Bertoli, Pistelli, et al., 2004 | Brophy, Goldsack, et al., 2004 | Flamini, Cioni, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | ZB-Wax | DB-Wax | HP-Wax | RTX-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.5 | 0.15 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 35. | 40. | 60. | 60. |
| Tend (C) | 260. | 220. | 200. | 220. | 230. |
| Heat rate (K/min) | 3. | 1.8 | 4. | 5. | 2. |
| Initial hold (min) | 10. | 5. | 10. | ||
| Final hold (min) | 10. | 20. | 45. | ||
| I | 1742. | 1744. | 1720. | 1700. | 1742. |
| Reference | Grujic-Jovanovic, Skaltsa, et al., 2004 | Ledauphin, Saint-Clair, et al., 2004 | Zheng, Kim, et al., 2004 | Campeol, Flamini, et al., 2003 | Cavalli, Tomi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | CP-Wax 52CB | HP-Innowax | Megawax | BP-20 |
| Column length (m) | 60. | 50. | 30. | 30. | 50. |
| Carrier gas | H2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.2 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 40. | 32. | 60. | 40. | 60. |
| Tend (C) | 245. | 220. | 260. | 220. | 220. |
| Heat rate (K/min) | 1.5 | 1. | 3. | 2. | 2. |
| Initial hold (min) | 1. | 6. | |||
| Final hold (min) | 20. | 10. | 20. | ||
| I | 1740. | 1708. | 1723. | 1730. | 1744. |
| Reference | Gancel, Ollitrault, et al., 2003 | Kjeldsen, Christensen, et al., 2003 | Skaltsa, Demetzos, et al., 2003 | Verzera, Trozzi, et al., 2003 | Lota, de Rocca Serra, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | AT-Wax | DB-Wax | DB-Wax | CP-Wax 52CB |
| Column length (m) | 50. | 60. | 60. | 60. | 25. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.5 | 0.50 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.32 | 1.0 | 0.15 |
| Tstart (C) | 32. | 65. | 40. | 60. | 40. |
| Tend (C) | 220. | 250. | 290. | 225. | 220. |
| Heat rate (K/min) | 1. | 2. | 4. | 3. | 3. |
| Initial hold (min) | 1. | 10. | 2. | 5. | |
| Final hold (min) | 60. | 5. | |||
| I | 1713. | 1732. | 1756. | 1735. | 1752. |
| Reference | Kjeldsen, Christensen, et al., 2001 | Pino and Marbot, 2001 | Bartley and Jacobs, 2000 | Brophy, Goldsack, et al., 2000 | Chagonda, Makanda, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Supelcowax-10 | BP-20 | Megawax |
| Column length (m) | 30. | 30. | 30. | 50. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 75. | 60. | 40. |
| Tend (C) | 200. | 200. | 200. | 230. | 220. |
| Heat rate (K/min) | 2. | 2. | 2.5 | 2. | 2. |
| Initial hold (min) | 5. | 5. | 6. | ||
| Final hold (min) | 20. | 20. | 35. | 10. | |
| I | 1743. | 1749. | 1723. | 1740. | 1730. |
| Reference | Kim, Thuy, et al., 2000 | Kim, Thuy, et al., 2000 | Lazari, Skaltsa, et al., 2000 | Lota, de Rocca Serra, et al., 2000 | Verzera, Trozzi, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | CP-Wax 52CB | HP-Innowax | Innowax | Carbowax 20M |
| Column length (m) | 50. | 50. | 60. | 60. | 25. |
| Carrier gas | He | He | H2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.3 | |||
| Tstart (C) | 60. | 60. | 32. | 50. | 50. |
| Tend (C) | 220. | 220. | 220. | 180. | 200. |
| Heat rate (K/min) | 4. | 4. | 2. | 2.5 | 3. |
| Initial hold (min) | 5. | 5. | 1. | 5. | 1. |
| Final hold (min) | 30. | 30. | 40. | 20. | |
| I | 1737. | 1756. | 1756. | 1752. | 1754. |
| Reference | Chevance and Farmer, 1999 | Chevance and Farmer, 1999, 2 | Christensen, Jakobsen, et al., 1999 | Stashenko, Cervantes, et al., 1999 | Bicchi, Rubiolo, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | DB-Wax | DB-Wax | CP-Wax 52CB | HP-20M |
| Column length (m) | 25. | 60. | 60. | 50. | 50. |
| Carrier gas | He | H2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.3 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 50. | 50. | 50. | 60. |
| Tend (C) | 200. | 180. | 230. | 200. | 190. |
| Heat rate (K/min) | 3. | 2.5 | 2. | 1.5 | 3. |
| Initial hold (min) | 1. | 5. | 10. | ||
| Final hold (min) | 20. | 40. | |||
| I | 1758. | 1752. | 1725. | 1760. | 1725. |
| Reference | Bicchi, Fresia, et al., 1997 | Stashenko, Prada, et al., 1996 | Shimoda, Shigematsu, et al., 1995 | Wu and Yang, 1994 | Chung, Eiserich, et al., 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Boti, Koukoua, et al., 2007
Boti, J.B.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J.,
Chemical variability of Conyza sumatrensis and Microglossa pyrifolia from Côte d'Ivoire,
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Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J.,
Thymol derivatives from essential oil of Doronicum corsicum L.,
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Politeo, Jukic, et al., 2007
Politeo, O.; Jukic, M.; Milos, M.,
Chemical Composition and Antioxidant Activity of Free Volatile Aglycones from Laurel (Laurus nobilis L.) Compared to Its Essential Oil,
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Saroglou, Marin, et al., 2007
Saroglou, V.; Marin, P.D.; Rancic, A.; Veljic, M.; Skaltsa, H.,
Composition and antimicrobial activity of the essential oil of six Hypericum species from Serbia,
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Flamini, Tebano, et al., 2006
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Effects of Nucleo-cytoplasmic Interactions on Leaf Volatile Compounds from Citrus Somatic Diploid Hybrids,
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Gancel, Ollitrault, et al., 2005
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
Leaf volatile compounds of six citrus somatic allotetraploid hybrids originating from various combinations of lime, lemon, citron, sweet orange, and grapefruit,
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Njoroge, Koaze, et al., 2005
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Volatile Constituents of Redblush Grapefruit ( Citrus paradisi) and Pummelo ( Citrus grandis) Peel Essential Oils from Kenya,
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Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
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Bertoli, Pistelli, et al., 2004
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Volatile constituents of different parts (roots, stems and leaves) of Smyrnium olusatrum L.,
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Brophy, Goldsack, et al., 2004
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Grujic-Jovanovic, Skaltsa, et al., 2004
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Ledauphin, Saint-Clair, et al., 2004
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Campeol, Flamini, et al., 2003
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Cavalli, Tomi, et al., 2003
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Gancel, Ollitrault, et al., 2003
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent,
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Kjeldsen, Christensen, et al., 2003
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Skaltsa, Demetzos, et al., 2003
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Verzera, Trozzi, et al., 2003
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Effects of rootstock on the composition of bergamot (Citrus bergamia Risso et Poiteau) essential oil,
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Lota, de Rocca Serra, et al., 2002
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Jacquemond, C.; Casanova, J.,
Volatile components of peel and leaf oils of lemon and lime species,
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Kjeldsen, Christensen, et al., 2001
Kjeldsen, F.; Christensen, L.P.; Edelenbos, M.,
Quantitative analysis of aroma compounds in carrot (Daucus carota L.) cultivars by capillary gas chromatography using large-volume injection technique,
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Pino and Marbot, 2001
Pino, J.A.; Marbot, R.,
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit,
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Bartley and Jacobs, 2000
Bartley, J.P.; Jacobs, A.L.,
Effects of drying on flavour compounds in Australian-grown ginger (Zingiber officinale),
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Brophy, Goldsack, et al., 2000
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Chagonda, Makanda, et al., 2000
Chagonda, L.S.; Makanda, C.D.; Chalchat, J.-C.,
The essential oils of Ocimum canum Sims (basilic camphor) and Ocimum urticifolia Roth from Zimbabwe,
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Kim, Thuy, et al., 2000
Kim, T.H.; Thuy, N.T.; Shin, J.H.; Baek, H.H.; Lee, H.J.,
Aroma-active compounds of miniature beefsteakplant (Mosla dianthera Maxim.),
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Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
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