2,6-Octadienal, 3,7-dimethyl-
- 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
- IUPAC Standard InChIKey: WTEVQBCEXWBHNA-UHFFFAOYSA-N
- CAS Registry Number: 5392-40-5
- 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: Citral; 3,7-Dimethyl-2,6-octadienal; Citral,c&t; cis,trans-Citral; NCI-C56348; 3,7-Dimethyl-1,2,6-octadienal; cis-Citral; Citral (cis and trans); Citral acis-3,7-dimethyl-2,6-octadienal; Lemarome n; Neral; Z-3,7-Dimethyl-2,6-octadiene-1-al; (2E)-3,7-Dimethyl-2,6-octadienal; 3,7-Dimethyl-2,6-octadiene-1-al; 3,7-Dimethyl-2,6-octadien-1-al; Lemsyn GB; NSC 6170
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Normal alkane RI, non-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 | DB-1 | DB-1 | SPB-1 | SPB-5 |
| Column length (m) | 60. | 30. | 30. | 60. |
| Carrier gas | Nitrogen | Helium | N2 | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 70. | 70. |
| Tend (C) | 250. | 220. | 180. | 240. |
| Heat rate (K/min) | 4. | 4. | 2. | 5. |
| Initial hold (min) | 1. | 2. | 2. | 8. |
| Final hold (min) | 10. | 2. | 1. | 20. |
| I | 1244. | 1247. | 1213. | 1276. |
| Reference | Safaei-Ghomi, Meshkatalsadat, et al., 2010 | Xu, Tang, et al., 2010 | Kamath, Asha, et al., 2001 | Kim, Kim, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | 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.
Safaei-Ghomi, Meshkatalsadat, et al., 2010
Safaei-Ghomi, J.; Meshkatalsadat, M.H.; Asadi, M.,
Analysis of the essential oil of Salvia brachycalyx Boiss. by nano scale injection and antioxidative activity of methanol extract of this plant,
Digest J. Nanomaterials and Biostructures, 2010, 5, 2, 545-549. [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]
Kamath, Asha, et al., 2001
Kamath, A.; Asha, M.R.; Ravi, R.; Narasimhan, S.; Rajalakshmi, D.,
Comparative study of odour and GC-olfactometric profiles of selected essential oils,
Flavour Fragr. J., 2001, 16, 6, 401-407, https://doi.org/10.1002/ffj.1020
. [all data]
Kim, Kim, et al., 2000
Kim, H.-J.; Kim, K.; Kim, N.-S.; Lee, D.-S.,
Determination of floral fragrances of Rosa hybrida using solid-phase trapping-solvent extraction and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2000, 902, 2, 389-404, https://doi.org/10.1016/S0021-9673(00)00863-3
. [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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