1-Hepten-3-one
- Formula: C7H12O
- Molecular weight: 112.1696
- IUPAC Standard InChI: InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3
- IUPAC Standard InChIKey: OYLCUJRJCUXQBQ-UHFFFAOYSA-N
- CAS Registry Number: 2918-13-0
- 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. - Species with the same structure:
- Other names: 1-Heptene-3-one
- Information on this page:
- Other data available:
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Normal alkane RI, non-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 |
|---|---|---|---|
| Active phase | RTX-5 MS | DB-5 | Methyl Silicone |
| Column length (m) | 30. | 30. | 17. |
| Carrier gas | Helium | He | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.50 | 0.5 | |
| Tstart (C) | 35. | 35. | 35. |
| Tend (C) | 225. | 275. | 225. |
| Heat rate (K/min) | 6. | 6. | 4. |
| Initial hold (min) | 5. | 3. | |
| Final hold (min) | 10. | ||
| I | 876. | 862. | 856. |
| Reference | Watcharananun, Cadwallader, et al., 2009 | Rouseff, Jella, et al., 2001 | Bravo, Hotchkiss, et al., 1992 |
| Comment | 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.
Watcharananun, Cadwallader, et al., 2009
Watcharananun, W.; Cadwallader, K.R.; Huangrak, K.; Kim, H.; Lorjaroenphon, Y.,
Identification of predominant odorants in Thai desserts flavored by smoking with Tian Op, a traditional Thai scented candle,
J. Agric. Food Chem., 2009, 57, 3, 996-1005, https://doi.org/10.1021/jf802674c
. [all data]
Rouseff, Jella, et al., 2001
Rouseff, R.; Jella, P.; Bazemore, R.; Yang, J.-J.,
Aroma active internal standards for gas chromatography-olfactometry of grapefruit juices,
Am. Chem. Soc. Symp. Ser., 2001, 782, 73-87. [all data]
Bravo, Hotchkiss, et al., 1992
Bravo, A.; Hotchkiss, J.H.; Acree, T.E.,
Identification of ordor-active compounds resulting from thermal oxidation of polyethylene,
J. Agric. Food Chem., 1992, 40, 10, 1881-1885, https://doi.org/10.1021/jf00022a031
. [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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