2,6-Octadienal, 3,7-dimethyl-, (Z)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
- IUPAC Standard InChIKey: WTEVQBCEXWBHNA-YFHOEESVSA-N
- CAS Registry Number: 106-26-3
- 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: β-Citral; cis-Citral; cis-3,7-Dimethyl-2,6-octadienal; beta-Citral; Neral; Z-Citral; (Z)-3,7-Dimethyl-2,6-octadienal; Citral B; (2Z)-3,7-Dimethyl-2,6-octadienal; 2,6-Octadienal, 3,7-dimethyl-, (2Z)-; (Z)-Neral; Neroli aldehyde; (Z)-3,7-Dimethylocta-2,6-dienal; Z-Citral (neral)
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Kovats' RI, polar column, temperature ramp
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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 |
|---|---|---|---|---|
| Active phase | HP-Wax | Carbowax 20M | DB-Wax | Carbowax 20M |
| Column length (m) | 50. | 25. | 60. | 50. |
| Carrier gas | He | N2 | He | |
| Substrate | ||||
| Column diameter (mm) | 0.2 | 0.5 | 0.25 | 0.3 |
| Phase thickness (μm) | 0.4 | |||
| Tstart (C) | 60. | 60. | 40. | 70. |
| Tend (C) | 230. | 200. | 220. | 210. |
| Heat rate (K/min) | 4. | 5. | 2. | 2. |
| Initial hold (min) | 10. | |||
| Final hold (min) | 30. | |||
| I | 1706. | 1676. | 1689. | 1719. |
| Reference | Gauvin, Lecomte, et al., 2004 | Mallavarapu, Rao, et al., 1998 | Umano and Shibamoto, 1988 | Randriamiharisoa and Gaydou, 1987 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J.,
Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354
. [all data]
Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K.,
Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B
. [all data]
Umano and Shibamoto, 1988
Umano, K.; Shibamoto, T.,
A new method of headspace sampling: grapefruit volatiles
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 981-998. [all data]
Randriamiharisoa and Gaydou, 1987
Randriamiharisoa, R.P.; Gaydou, E.M.,
Composition of Palmarosa (Cymbopogon martinii) essential oil from Madagascar,
J. Agric. Food Chem., 1987, 35, 1, 62-66, https://doi.org/10.1021/jf00073a015
. [all data]
Notes
Go To: Top, Kovats' 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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