3-Hexen-2-one
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChI: InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4-5H,3H2,1-2H3
- IUPAC Standard InChIKey: LPCWMYHBLXLJJQ-UHFFFAOYSA-N
- CAS Registry Number: 763-93-9
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 1-Butenyl methyl ketone; Methyl 1-butenyl ketone; Hex-3-en-2-one
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- Other data available:
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Normal alkane RI, non-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 |
|---|---|---|
| Active phase | HP-5 | HP-5 |
| Column length (m) | 50. | |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | |
| Phase thickness (μm) | 0.52 | |
| Program | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) | 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min) |
| I | 834. | 845. |
| Reference | Splivallo, Bossi, et al., 2007 | Timón, Ventanas, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P.,
Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction,
Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030
. [all data]
Timón, Ventanas, et al., 1998
Timón, M.L.; Ventanas, J.; Martín, L.; Tejeda, J.F.; García, C.,
Volatile compounds in supercritical carbon dioxide extracts of Iberian ham,
J. Agric. Food Chem., 1998, 46, 12, 5143-5150, https://doi.org/10.1021/jf980652v
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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