2,6-Octadienal, 3,7-dimethyl-, (E)-
- 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-JXMROGBWSA-N
- CAS Registry Number: 141-27-5
- 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: α-Citral; (E)-Citral; trans-Citral; trans-3,7-Dimethyl-2,6-octadienal; Citral a; Geranaldehyde; Geranial; Citral α; (E)-3,7-Dimethyl-2,6-octadienal; (E)-3,7-Dimethylocta-2,6-dienal; trans-3,7-dimethyl-octa-2,6-dienal; (E)-Geranial; (E)-Neral; 2,6-Octadienal, 3,7-dimethyl-, (2E)-; β-Geranial; trans-3,7-dimethyl-2,6-octadienal (geranial); geranial (α-Citral); E-Citral (geranial)
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Normal alkane RI, polar column, custom temperature program
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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 |
|---|---|---|---|
| Active phase | Supelco CO Wax-10 | Supelco CO Wax-10 | CP-Wax 52 CB |
| Column length (m) | 60. | 60. | 50. |
| Carrier gas | Helium | Helium | Helium |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.20 |
| Program | 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min) | not specified | 60 0C (5 min) 3 0C/min -> 250 0C (20 min) 1 0C/min -> 255 0C |
| I | 1738. | 1741. | 1735. |
| Reference | Prompona, Kandylis, et al., 2012 | Prompona, Kandylis, et al., 2012 | Genisheva and Oliveira, 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Prompona, Kandylis, et al., 2012
Prompona, K.-D.; Kandylis, P.; Tsakiris, A.; Kanellaki, M.; Kourkoutas, Y.,
Application of alternative technologies for elimination of artificial colorings in alcoholic beverages produced by Citrus medica and potential impact on human health,
Food Nutrition Sci., 2012, 3, 07, 959-969, https://doi.org/10.4236/fns.2012.37127
. [all data]
Genisheva and Oliveira, 2009
Genisheva, Z.; Oliveira, J.M.,
Monoterpenic characterization of white cultivars from Vinhos Verdes appelation of origin (North Portugal),
J. Inst. Brewing, 2009, 115, 4, 308-317, https://doi.org/10.1002/j.2050-0416.2009.tb00386.x
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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