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]
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- Other data available:
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Normal alkane 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 MS | DB-5 | DB-5 | HP-5 MS | DB-5 MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 60. | 70. | 60. |
| Tend (C) | 250. | 250. | 240. | 290. | 240. |
| Heat rate (K/min) | 3. | 3. | 3. | 5. | 3. |
| Initial hold (min) | 1. | 5. | |||
| Final hold (min) | 3. | 20. | 10. | ||
| I | 1491. | 1488. | 1491. | 1491. | 1505. |
| Reference | Jian-Yu, Zhu, et al., 2012 | Cao, Li, et al., 2011 | Fraternale, Ricci, et al., 2011 | Radulovic, Dordevic, et al., 2010 | Silva, Pott, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | BP-1 | DB-5 MS | DB-5 MS | RTX-5 MS |
| Column length (m) | 30. | 50. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 50. | 50. | 60. |
| Tend (C) | 220. | 220. | 220. | 220. | 200. |
| Heat rate (K/min) | 4. | 2. | 3. | 3. | 2. |
| Initial hold (min) | 2. | 2. | 2. | 2. | |
| Final hold (min) | 2. | 20. | 70. | 70. | 10. |
| I | 1491. | 1483. | 1484. | 1488. | 1490. |
| Reference | Xu, Tang, et al., 2010 | Ottavioli, Bighelli, et al., 2009 | Shimizu, Imayoshi, et al., 2009 | Shimizu, Imayoshi, et al., 2009 | Edris, Chizzola, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | HP-5MS | ZB-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 60. | 40. | 40. |
| Tend (C) | 240. | 300. | 280. | 260. | 245. |
| Heat rate (K/min) | 2. | 5. | 3. | 6. | 3. |
| Initial hold (min) | 5. | 4.6 | 20. | ||
| Final hold (min) | 5. | 1. | |||
| I | 1487. | 1488. | 1467. | 1499. | 1480. |
| Reference | Miyazawa and Tamura, 2007 | Figuérédo, Cabassu, et al., 2006 | Tzakou, Said, et al., 2006 | Jürgens and Dötterl, 2004 | Gancel, Ollé, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 | HP-5 |
| Column length (m) | 25. | 30. |
| Carrier gas | He | N2 |
| Substrate | ||
| Column diameter (mm) | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 60. | 60. |
| Tend (C) | 220. | 220. |
| Heat rate (K/min) | 3. | 5. |
| Initial hold (min) | 10. | |
| Final hold (min) | ||
| I | 1493. | 1491. |
| Reference | Schwob, Bessière, et al., 2002 | Gallori, Flamini, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Jian-Yu, Zhu, et al., 2012
Jian-Yu, S.; Zhu, L.; Tian, Y.-J.,
Chemical composition and antimicrobial activities of essential oil of Matricaria songarica,
Int. J. Agriculture Biology, 2012, 14, 1, 107-110. [all data]
Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X.,
QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression,
Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379
. [all data]
Fraternale, Ricci, et al., 2011
Fraternale, D.; Ricci, D.; Flamini, G.; Giomaro, G.,
Volatile profile of red apple from Marche region (Italy),
Rec. Nat. Prod., 2011, 5, 3, 202-207. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [all data]
Silva, Pott, et al., 2010
Silva, D.B.; Pott, A.; Oliveira, D.C.R.,
Analyses of the headspace volatile constituents of aerial parts (leaves and stems), flowers and fruits of Bidens gardneri Bak. and Bidens sulphurea (Cav.) Sch. Bip. using solid-phase microextraction,
J. Essen. Oil Res., 2010, 22, 6, 560-563, https://doi.org/10.1080/10412905.2010.9700400
. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Ottavioli, Bighelli, et al., 2009
Ottavioli, J.; Bighelli, A.; Casanova, J.; Bang, B.T.; Y.,
GC (retention indices), GC-MS, and 13C NMR of two citral-rich Cymbopogon leaf oils: C. Flexuosus and C. tortilis,
Spectroscopy Lett., 2009, 42, 8, 506-512, https://doi.org/10.1080/00387010903022350
. [all data]
Shimizu, Imayoshi, et al., 2009
Shimizu, Y.; Imayoshi, Y.; Kato, M.; Maeda, K.; Iwabuchi, H.; Shimomura, K.,
Volatiles from leaves of field-grown plants and shoot cultures of Gynura bicolor DC,
Flavour Fragr. J., 2009, 24, 5, 251-258, https://doi.org/10.1002/ffj.1938
. [all data]
Edris, Chizzola, et al., 2007
Edris, A.E.; Chizzola, R.; Franz, C.,
Isolation and characterization of the volatile aroma compounds from the concrete headspace and the absolute of Jasminum sambac (L.) Ait. (Oleaceae) flowers grown in Egypt,
Eur. Food Res. Technol., 2007, https://doi.org/10.1007/s00217-007-0623-y
. [all data]
Miyazawa and Tamura, 2007
Miyazawa, M.; Tamura, N.,
Components of the essential oil from sprouts of Polygonum hydropiper L. ('Benitade'),
Flavour Fragr. J., 2007, 22, 3, 188-190, https://doi.org/10.1002/ffj.1779
. [all data]
Figuérédo, Cabassu, et al., 2006
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins,
Flavour Fragr. J., 2006, 21, 1, 134-139, https://doi.org/10.1002/ffj.1543
. [all data]
Tzakou, Said, et al., 2006
Tzakou, O.; Said, A.; Farag, A.; Rashed, K.,
Volatile constituents of Ailanthus excelsa Roxb.,
Flavour Fragr. J., 2006, 21, 6, 899-901, https://doi.org/10.1002/ffj.1739
. [all data]
Jürgens and Dötterl, 2004
Jürgens, A.; Dötterl, S.,
Chemical composition of anther volatiles in Ranunculaceae: genera-specific profiles in Aemone, Aquilegia, Caltha, Pulsatilla, Ranunculus, and Trollius species,
American Journal of Botany, 2004, 91, 12, 1969-1980, https://doi.org/10.3732/ajb.91.12.1969
. [all data]
Gancel, Ollé, et al., 2002
Gancel, A.-L.; Ollé, D.; Ollitrault, P.; Luro, F.; Brillouet, J.-M.,
Leaf and peel volatile compounds of an interspecific citrus somatic hybrid [Citrus aurantifolia (Christm.) Swing. + Citrus paradisi Macfayden],
Flavour Fragr. J., 2002, 17, 6, 416-424, https://doi.org/10.1002/ffj.1119
. [all data]
Schwob, Bessière, et al., 2002
Schwob, I.; Bessière, J.-M.; Viano, J.,
Composition of the essential oils of Hypericum perforatum L. from southeastern France,
C.R. Acad. Sci. Ser. 3:, 2002, 325, 781-785. [all data]
Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
J. Agric. Food Chem., 2001, 49, 12, 5907-5910, https://doi.org/10.1021/jf0107656
. [all data]
Notes
Go To: Top, Normal alkane 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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