2-Acetyl-5-methylfuran
- Formula: C7H8O2
- Molecular weight: 124.1372
- IUPAC Standard InChI: InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
- IUPAC Standard InChIKey: KEFJLCGVTHRGAH-UHFFFAOYSA-N
- CAS Registry Number: 1193-79-9
- 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. - Other names: Ethanone, 1-(5-methyl-2-furanyl)-; Furan, 2-acetyl-5-methyl-; 5-Methyl-2-acetylfuran; Ketone, methyl 5-methyl-2-furyl; 2-Methyl-5-acetylfuran; 5-Acetyl-2-methylfuran; 2-Acetyl, 5-mefuran; 1-(5-methyl-2-furyl)ethan-1-one
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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 | Capillary |
|---|---|---|---|---|
| Active phase | Stabilwax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 60. | 60. |
| Carrier gas | Helium | Helium | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min) | 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C | 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min) | 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min) |
| I | 1601. | 1597. | 1600. | 1609. |
| Reference | Chinnici, Guerrero, et al., 2009 | Tao, Wenlai, et al., 2008 | Lee, Lee, et al., 2005 | Lee, Lee, et al., 2005 |
| Comment | MSDC-RI | 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.
Chinnici, Guerrero, et al., 2009
Chinnici, F.; Guerrero, E.D.; Sonni, F.; Natali, N.; Marin, R.N.; Riponi, C.,
Gas chromatography - mass spectrometry (GC-MS) characterization of volatile compounds in quality vinegars with protected Europian geographical indication,
J. Agric. Food Chem., 2009, 57, 11, 4784-4792, https://doi.org/10.1021/jf804005w
. [all data]
Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X.,
Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry,
J. Inst. Brew., 2008, 114, 2, 172-179, https://doi.org/10.1002/j.2050-0416.2008.tb00323.x
. [all data]
Lee, Lee, et al., 2005
Lee, K.-G.; Lee, S.-E.; Takeoka, G.R.; Kim, J.-H.; Park, B.-S.,
Antioxidant activity and characterization of volatile constituents of beechwood creosote,
J. Sci. Food Agric., 2005, 85, 9, 1580-1586, https://doi.org/10.1002/jsfa.2156
. [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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