1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (Z,E)-
- 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-OXYODPPFSA-N
- CAS Registry Number: 26560-14-5
- 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. - Stereoisomers:
- Other names: (Z,E)-α-Farnesene; (3Z,6E)-3,7,11-Trimethyl-1,3,6,10-dodecatetraene; α-(Z,E)-Farnesene; (3Z,6E)- α-Farnesene; cis,trans-α-Farnesene; (Z)-3, (E)-6-α-Farnesene; (Z,E)-3,7,11-Trimethyl-1,3,6,10-dodecatetraene,; (Z)-α-Farnesene; ( Z, E)-farnesene; (Z,E)-α-Farnesen(3,7,11-Trimethyl-1,3,6,10-dodecatetraen); 1,3,6,10-Dodetetraene, 3,7,11-trimethyl-,[Z,E]
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Mark Whitten, Florida Museum of Natural History, U. of Florida |
| NIST MS number | 141112 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1483. | Saad, El-Sharkawy, et al., 1995 | 28. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 4. K/min; Tend: 270. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1478. | Riu-Aumatell, Castellari, et al., 2004 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-Wax | 165. | 1721. | Piskorski R., Hanus R., et al., 2007 | 30. m/0.25 mm/0.25 μm |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax | 1692. | Riu-Aumatell, Castellari, et al., 2004 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min, 240. C @ 10. min |
| Capillary | Supelcowax | 1692. | Riu-Aumatell, Castellari, et al., 2004 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min, 240. C @ 10. min |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1486. | Boti, Koukoua, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | BP-1 | 1477. | Duquesnoy, Castola, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-5 | 1491. | Flamini, Tebano, et al., 2007 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | RTX-1 | 1482. | Paolini, Muselli, et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | DB-5 | 1484. | Sabulal, Dan, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | SPB-1 | 1470. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | DB-5 | 1462. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | HP-5MS | 1486. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1491. | Vundac, Pfeifhofer, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 300. C |
| Capillary | HP-5MS | 1495.9 | Zhao C.X., Li, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
| Capillary | CP Sil 5 CB | 1477. | Ziegenbein, Hanssen, et al., 2006 | 25. m/0.25 mm/0.4 μm, He, 10. K/min; Tstart: 80. C; Tend: 270. C |
| Capillary | HP-5 | 1491. | Flamini, Luigi Cioni, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | DB-5MS | 1494. | Seo and Baek, 2005 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 20. min; Tstart: 40. C |
| Capillary | HP-5 | 1491. | Flamini, Luigi Cioni, et al., 2004 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | DB-5MS | 1489. | Zheng, Kim, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min, 200. C @ 20. min |
| Capillary | HP-5 | 1491. | Flamini, Luigi Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | HP-5 | 1491. | Flamini, Cioni, et al., 2002 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | HP-5 | 1496. | Kim, Thuy, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 20. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1486. | Zheng, Kim, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1717. | Boti, Koukoua, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-Wax | 1725. | Paolini, Muselli, et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | Supelcowax-10 | 1725. | Riu-Aumatell, Lopez-Tamames, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min, 240. C @ 10. min |
| Capillary | DB-Wax | 1732. | Seo and Baek, 2005 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 20. min; Tstart: 40. C |
| Capillary | DB-Wax | 1747. | Zheng, Kim, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min, 200. C @ 20. min |
| Capillary | CP-Wax 52CB | 1748. | Chagonda, Makanda, et al., 2000 | 25. m/0.25 mm/0.15 μm, 40. C @ 5. min, 3. K/min; Tend: 220. C |
| Capillary | DB-Wax | 1733. | Kim, Thuy, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 20. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1720. | Zheng, Kim, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1491. | Jian-Yu, Zhu, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 3. min |
| Capillary | DB-5 | 1488. | Cao, Li, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 250. C @ 20. min |
| Capillary | DB-5 | 1491. | Fraternale, Ricci, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 MS | 1491. | Radulovic, Dordevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
| Capillary | DB-5 MS | 1505. | Silva, Pott, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-1 | 1491. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min |
| Capillary | BP-1 | 1483. | Ottavioli, Bighelli, et al., 2009 | 50. m/0.22 mm/0.25 μm, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5 MS | 1484. | Shimizu, Imayoshi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 70. min |
| Capillary | DB-5 MS | 1488. | Shimizu, Imayoshi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 70. min |
| Capillary | RTX-5 MS | 1490. | Edris, Chizzola, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 200. C @ 10. min |
| Capillary | DB-5 | 1487. | Miyazawa and Tamura, 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1488. | Figuérédo, Cabassu, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 300. C @ 5. min |
| Capillary | HP-5MS | 1467. | Tzakou, Said, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | ZB-5 | 1499. | Jürgens and Dötterl, 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4.6 min, 6. K/min, 260. C @ 1. min |
| Capillary | DB-1 | 1480. | Gancel, Ollé, et al., 2002 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 20. min, 3. K/min; Tend: 245. C |
| Capillary | DB-5 | 1493. | Schwob, Bessière, et al., 2002 | He, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 220. C |
| Capillary | HP-5 | 1491. | Gallori, Flamini, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1488. | Cao, Li, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | CP-Sil 8 CB | 1490. | Di Giusto, Bessiere, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: Multi-rise program |
| Capillary | DB-1 | 1484. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-5 | 1488. | Courtois, Paine, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C |
| Capillary | Optima-5MS | 1491. | HEuskin, Godin, et al., 2009 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 5 0C/min -> 230 0C 30 0C/min -> 280 0C (5 min) |
| Capillary | CB-1 | 1496. | Kannaste, Vongvanich, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min) |
| Capillary | CB-1 | 1480. | Kannaste, Vongvanich, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | CP Sil 8 CB | 1490. | Meekijjaroenroj, Bessière, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(3min) => 3C/min => 100C => 2.7C/min => 140C => 2.4C/min => 180C => 6C/min => 250C |
| Capillary | ZB-5 | 1488. | Piskorski R., Hanus R., et al., 2007 | 30. m/0.25 mm/0.25 μm; Program: 60C => 3C/min => 240C 20C/min => 320C |
| Capillary | CP-Sil | 1486. | Proffit, 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C |
| Capillary | SE-30 | 1492. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1492. | Zenkevich, 1996 | Program: not specified |
| Capillary | DB-5 | 1497. | Storer, Elmore, et al., 1993 | 30. m/0.32 mm/1. μm; Program: 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) |
| Capillary | DB-5 | 1497. | Storer, Elmore, et al., 1993 | 30. m/0.32 mm/1. μm; Program: 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1723. | Ottavioli, Bighelli, et al., 2009 | 50. m/0.22 mm/0.25 μm, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-Wax | 1728. | Shimizu, Imayoshi, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 70. min |
| Capillary | DB-Wax | 1722. | Shimizu, Imayoshi, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 70. min |
| Capillary | DB-Wax | 1770. | Wei A. and Shibamoto T., 2007 | 60. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 3. K/min, 180. C @ 80. min |
| Capillary | TC-Wax | 1721. | Miyazawa, Teranishi, et al., 2003 | He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 240. C |
| Capillary | DB-Wax | 1726. | Umano, Hagi, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
| Capillary | DB-Wax | 1721. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | Supelcowax-10 | 1727. | Ramaswami, Briscese, et al., 1988 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
| Capillary | Supelcowax-10 | 1727. | Ramaswami, Briscese, et al., 1986 | He, 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1715. | Rowan, Hunt, et al., 2009 | 20. m/0.18 mm/0.18 μm, Helium; Program: 35 0C (1 min) 2/9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min) |
| Capillary | HP-Innowax FSC | 1737. | Tabanca, Demirci, et al., 2006 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C => (10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1737. | Demirci, Demirci, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | Carbowax 20M | 1724. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP Innowax FSP | 1737. | Baser, Demirci, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax | 1737. | Baser, Demirci, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Nitroalkenes and sesquiterpene hydrocarbons from the frontal gland of three Prorhinotermes termite species,
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Flamini, Luigi Cioni, et al., 2003
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Differences in the fragrances of pollen, leaves, and floral parts of garland (Chrysanthemum coronarium) and composition of the essential oils from flowerheads and leaves,
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Flamini, Cioni, et al., 2002
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Kim, Thuy, et al., 2000
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Zheng, Kim, et al., 2005
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Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
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Miyazawa and Tamura, 2007
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Miyazawa, M.; Teranishi, A.; Ishikawa, Y.,
Components of the essential oil from Petasites japonicus,
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Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.),
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Ramaswami, Briscese, et al., 1986
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T.,
Sesquiterpene hydrocarbons: from mass confusion to orderly line-up
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Chemical Composition and Antifungal Activity of Salvia macrochlamys and Salvia recognita Essential Oils,
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Demirci, Demirci, et al., 2005
Demirci, B.; Demirci, F.; Dönmez, A.A.; Franz, G.; Paper, D.H.; Baser, K.H.C.,
Effects of Salvia essential oils on the chorioallantoic membrane (CAM) assay,
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Baser, Demirci, et al., 2003
Baser, K.H.C.; Demirci, B.; Dönmez, A.A.,
Composition of the essential oil of Perilla frutescens (L.) britton from Turkey,
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Baser, Demirci, et al., 2001
Baser, K.H.C.; Demirci, B.; Tabanca, N.; Özek, T.; Gören, N.,
Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. fil.) Grierson and the enantiomeric distribution of camphor and carvone,
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. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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