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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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 | Supelcowax-10 | DB-Wax | DB-Wax |
| Column length (m) | 50. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 40. | 40. |
| Tend (C) | 220. | 230. | 240. | 200. | 200. |
| Heat rate (K/min) | 2. | 2. | 3. | 2. | 4. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 20. | 35. | 10. | 20. | 20. |
| I | 1717. | 1725. | 1725. | 1732. | 1747. |
| Reference | Boti, Koukoua, et al., 2007 | Paolini, Muselli, et al., 2007 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Seo and Baek, 2005 | Zheng, Kim, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | CP-Wax 52CB | DB-Wax |
| Column length (m) | 25. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.15 | 0.25 |
| Tstart (C) | 40. | 40. |
| Tend (C) | 220. | 200. |
| Heat rate (K/min) | 3. | 2. |
| Initial hold (min) | 5. | 5. |
| Final hold (min) | 20. | |
| I | 1748. | 1733. |
| Reference | Chagonda, Makanda, et al., 2000 | Kim, Thuy, et al., 2000 |
| Comment | 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,
Flavour Fragr. J., 2007, 22, 1, 27-31, https://doi.org/10.1002/ffj.1743
. [all data]
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.,
Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824
. [all data]
Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S.,
Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments,
J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z
. [all data]
Seo and Baek, 2005
Seo, W.H.; Baek, H.H.,
Identification of characteristic aroma-active compounds from water dropword (Oenanthe javanica DC.),
J. Agric. Food Chem., 2005, 53, 17, 6766-6770, https://doi.org/10.1021/jf050150z
. [all data]
Zheng, Kim, et al., 2004
Zheng, C.H.; Kim, T.H.; Kim, K.H.; Leem, Y.H.; Lee, H.J.,
Characterization of potent aroma compounds in Chrysanthemum coronarium L. (Garland) using aroma extract dilution analysis,
Flavour Fragr. J., 2004, 19, 5, 401-405, https://doi.org/10.1002/ffj.1447
. [all data]
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,
Flavour Fragr. J., 2000, 15, 1, 23-26, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<23::AID-FFJ866>3.0.CO;2-W
. [all data]
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.),
J. Agric. Food Chem., 2000, 48, 7, 2877-2881, https://doi.org/10.1021/jf000219x
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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