2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (E,E)-
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+
- IUPAC Standard InChIKey: YHRUHBBTQZKMEX-YFVJMOTDSA-N
- CAS Registry Number: 502-67-0
- 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: (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienal; trans,trans-Farnesal; trans,trans-2,6-Farnesal; E,E-Farnesal; Farnesal, trans,trans-; 2,6-trans-trans-Farnesal; (2E,6E)-Farnesal; (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienal; 3,7,11-trimethyl-2,6,10-Dodecatrienal, (trans,trans)-; Farnesal, (E,E)-; trans-Farnesal; 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (2E,6E)-; farnesyl aldehyde; 3,7,11-trimethyl-2,6,10-dodecatrienal (farnesal); Farnesal (Isomer 3); Farnesal
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Van Den Dool and Kratz 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 | SPB-1 | DB-5 | BP-1 | BP-1 | HP-1 |
| Column length (m) | 30. | 30. | 50. | 50. | 24. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.22 | 0.22 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.17 |
| Tstart (C) | 50. | 50. | 60. | 60. | 60. |
| Tend (C) | 250. | 250. | 220. | 220. | 250. |
| Heat rate (K/min) | 5. | 5. | 2. | 2. | 4. |
| Initial hold (min) | 3. | 3. | 2. | ||
| Final hold (min) | 15. | 15. | 20. | 20. | 20. |
| I | 1735. | 1730. | 1706. | 1715. | 1714. |
| Reference | Blagojevic, Radulovic, et al., 2006 | Blagojevic, Radulovic, et al., 2006 | Boti, Bighelli, et al., 2006 | Gonny, Cavaleiro, et al., 2006 | Nath, Sarma, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | HP-101 |
| Column length (m) | 25. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.2 |
| Phase thickness (μm) | 0.2 |
| Tstart (C) | 70. |
| Tend (C) | 200. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 2. |
| Final hold (min) | 10. |
| I | 1714. |
| Reference | Milos and Radonic, 2000 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Blagojevic, Radulovic, et al., 2006
Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G.,
Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris,
J. Agric. Food Chem., 2006, 54, 13, 4780-4789, https://doi.org/10.1021/jf060123o
. [all data]
Boti, Bighelli, et al., 2006
Boti, J.B.; Bighelli, A.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Chemical variability of Juniperus oxycedrus ssp. oxycedrus berry and leaf oils from Corsica, analysed by combination of GC, GC-MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 2, 268-273, https://doi.org/10.1002/ffj.1579
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
Nath, Sarma, et al., 2002
Nath, S.C.; Sarma, K.K.; Vajezikova, I.; Leclercq, P.A.,
Comparison of volatile inflorescence oils and taxonomy of certain Cymbopogon taxa described as Cymbopogon flexuosus (Nees ex Steud.) Wats.,
Biochem. Syst. Ecol., 2002, 30, 2, 151-162, https://doi.org/10.1016/S0305-1978(01)00066-7
. [all data]
Milos and Radonic, 2000
Milos, M.; Radonic, A.,
Gas chromatography mass spectral analysis of free and glycosidically bound volatile compounds from Juniperus oxycedrus L. growing wild in Croatia,
Food Chem., 2000, 68, 3, 333-338, https://doi.org/10.1016/S0308-8146(99)00192-2
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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