4H-Pyran-4-one, 5-hydroxy-2-methyl-
- Formula: C6H6O3
- Molecular weight: 126.1100
- IUPAC Standard InChI: InChI=1S/C6H6O3/c1-4-2-5(7)6(8)3-9-4/h2-3,8H,1H3
- IUPAC Standard InChIKey: IQXWFHDFTAZGNB-UHFFFAOYSA-N
- CAS Registry Number: 644-46-2
- 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: Allomaltol; Kojic acid, α-deoxy-; 5-Hydroxy-2-methyl-γ-pyrone; 5-Hydroxy-2-methyl-4H-pyran-4-one; 2-Methyl-5-hydroxy-4H-pyran-4-one
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- Other data available:
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Normal alkane RI, non-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 | HP-5 MS | ZB-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | Helium | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 70. | 40. |
| Tend (C) | 200. | 280. |
| Heat rate (K/min) | 3. | 6. |
| Initial hold (min) | 2. | 1. |
| Final hold (min) | 18. | 9. |
| I | 1139. | 1142. |
| Reference | Jerkovic, Hegic, et al., 2010 | Harrison and Priest, 2009 |
| Comment | 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.
Jerkovic, Hegic, et al., 2010
Jerkovic, I.; Hegic, G.; Marijanovic, Z.; Bubalo, D.,
Organic extractives from Mentha spp. honey and the bee-stomach: methyl syringate, vomifoliol, terpenediol I, hotrienol, and other compounds,
Molecules, 2010, 15, 4, 2911-2924, https://doi.org/10.3390/molecules15042911
. [all data]
Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G.,
Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth,
J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y
. [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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