2-Heptenal
- Formula: C7H12O
- Molecular weight: 112.1696
- IUPAC Standard InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3
- IUPAC Standard InChIKey: NDFKTBCGKNOHPJ-UHFFFAOYSA-N
- CAS Registry Number: 2463-63-0
- 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: 2-Hepten-1-al; hept-2-enal
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Normal alkane RI, polar column, custom temperature program
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 |
|---|---|---|---|
| Active phase | HP-Innowax | DB-Wax | CP-Wax 52CB |
| Column length (m) | 60. | 60. | 50. |
| Carrier gas | Helium | He | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 1.5 | |
| Program | not specified | 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C(40min) | 40C => 2C/min => 150C => 10C/min => 250C |
| I | 1320. | 1327. | 1313. |
| Reference | Feng, Zhuang, et al., 2011 | Ziegleder, 1998 | Luning, de Rijk, et al., 1994 |
| 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.
Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z.,
Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose,
Sensors and Actuators B: Chemical, 2011, 160, 1, 964-973, https://doi.org/10.1016/j.snb.2011.09.013
. [all data]
Ziegleder, 1998
Ziegleder, G.,
Volatile and odorous compounds in unprinted paperboard,
Packag. Technol. Sci., 1998, 11, 5, 231-239, https://doi.org/10.1002/(SICI)1099-1522(1998090)11:5<231::AID-PTS437>3.0.CO;2-A
. [all data]
Luning, de Rijk, et al., 1994
Luning, P.A.; de Rijk, T.; Wichers, H.J.; Roozen, J.P.,
Gas chromatography, mass spectrometry, and sniffing port analyses of volatile compounds of fresh bell peppers (Capsicum annuum) at different ripening stages,
J. Agric. Food Chem., 1994, 42, 4, 977-983, https://doi.org/10.1021/jf00040a027
. [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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