2,4-Octadienal, (E,E)-
- Formula: C8H12O
- Molecular weight: 124.1803
- IUPAC Standard InChI: InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+
- IUPAC Standard InChIKey: DVVATNQISMINCX-YTXTXJHMSA-N
- CAS Registry Number: 30361-28-5
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: trans,trans-Octa-2,4-dienal; 2,4-Octadien-1-al; (E,E)-2,4-Octadien-1-al; (2E,4E)-2,4-Octadienal; (E)-2,(E)-4-Octadienal; (E,E)-2,4-Octadienal; (E,E)-Octa-2,4-dienal; (2E,4E)-octa-2,4-dienal; octa-2,4-dienal; 2,4-Octadienal, (2E,4E)-
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | DB-Wax | DB-Wax | DB-Wax | DB-Wax | Supelcowax-10 |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | Helium | Helium | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.53 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1. |
| Tstart (C) | 60. | 60. | 60. | 40. | 40. |
| Tend (C) | 200. | 200. | 200. | 210. | 240. |
| Heat rate (K/min) | 8. | 8. | 8. | 3. | 4. |
| Initial hold (min) | 3. | 3. | 3. | 2. | |
| Final hold (min) | 9.5 | 9.5 | 9.5 | 20. | |
| I | 1605. | 1628. | 1632. | 1601. | 1630. |
| Reference | Rochat, Egger, et al., 2009 | Rochat, Egger, et al., 2009 | Rochat, Egger, et al., 2009 | Kumazawa, Wada, et al., 2006 | Rochat and Chaintreau, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | Carbowax 20M |
| Column length (m) | 60. | 60. | 60. | 150. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.53 | 0.53 | 0.25 | 0.64 |
| Phase thickness (μm) | 1. | 1. | 0.25 | |
| Tstart (C) | 40. | 40. | 40. | 50. |
| Tend (C) | 240. | 240. | 175. | 170. |
| Heat rate (K/min) | 4. | 4. | 1. | 1. |
| Initial hold (min) | 2. | 2. | 5. | 30. |
| Final hold (min) | 20. | 20. | ||
| I | 1632. | 1634. | 1590. | 1590. |
| Reference | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 | Hsieh, Williams, et al., 1989 | Buttery and Kamm, 1980 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Rochat, Egger, et al., 2009
Rochat, S.; Egger, J.; Chaintreau, A.,
Strategy for the identification of key odorants: application to shrimp aroma,
J. Chromatogr. A, 2009, 1216, 36, 6424-6432, https://doi.org/10.1016/j.chroma.2009.07.014
. [all data]
Kumazawa, Wada, et al., 2006
Kumazawa, K.; Wada, Y.; Masuda, H.,
Characterization of epoxydecenal isomers as potent odorants in black tea (Dimbula) infusion,
J. Agric. Food Chem., 2006, 54, 13, 4795-4801, https://doi.org/10.1021/jf0603127
. [all data]
Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A.,
Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note,
J. Agric. Food Chem., 2005, 53, 24, 9578-9585, https://doi.org/10.1021/jf058089l
. [all data]
Hsieh, Williams, et al., 1989
Hsieh, T.C.Y.; Williams, S.S.; Vejaphan, W.; Meyers, S.P.,
Characterization of Volatile Components of Menhaden Fish (Brevoortia tyrannus) Oil,
J. Amer. Oil Chem. Soc., 1989, 66, 1, 114-117, https://doi.org/10.1007/BF02661797
. [all data]
Buttery and Kamm, 1980
Buttery, R.G.; Kamm, J.A.,
Volatile components of alfalfa: possible insect host plant attractants,
J. Agric. Food Chem., 1980, 28, 5, 978-981, https://doi.org/10.1021/jf60231a014
. [all data]
Notes
Go To: Top, Normal alkane 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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