2(3H)-Furanone, 5-acetyldihydro-
- Formula: C6H8O3
- Molecular weight: 128.1259
- IUPAC Standard InChI: InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3
- IUPAC Standard InChIKey: AHLDCEZSQNGEFT-UHFFFAOYSA-N
- CAS Registry Number: 29393-32-6
- 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: 5-Acetyldihydro-2(3H)-furanone; 4-Hydroxy-5-ketohexanoic acid lactone; Solerone; Hexanoic acid, 4-hydroxy-5-oxo-, lactone; 5-acetyldihydrofuran-2(3H)-one
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Normal alkane RI, polar column, temperature ramp
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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 | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. |
| Carrier gas | Helium | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.50 | 0.50 |
| Tstart (C) | 40. | 40. |
| Tend (C) | 210. | 210. |
| Heat rate (K/min) | 2. | 2. |
| Initial hold (min) | 5. | 5. |
| Final hold (min) | 70. | 70. |
| I | 2098. | 2096. |
| Reference | Moon and Shibamoto, 2010 | Moon and Shibamoto, 2009 |
| Comment | 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.
Moon and Shibamoto, 2010
Moon, J.-K.; Shibamoto, T.,
Formation of volatile chemicals from thermal degradation of less volatile cofee components: quinic acid, caffeic acid, and chlorogenic acid,
J. Agric. Food Chem., 2010, 58, 9, 5465-5470, https://doi.org/10.1021/jf1005148
. [all data]
Moon and Shibamoto, 2009
Moon, J.-K.; Shibamoto, T.,
Role of roasting conditions in the profile of volatile flavor chemicals formed from coffee beans,
J. Agric. Food Chem., 2009, 57, 13, 5823-5831, https://doi.org/10.1021/jf901136e
. [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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