4H-Pyran-4-one, 3,5-dihydroxy-2-methyl-
- Formula: C6H6O4
- Molecular weight: 142.1094
- IUPAC Standard InChI: InChI=1S/C6H6O4/c1-3-5(8)6(9)4(7)2-10-3/h2,7-8H,1H3
- IUPAC Standard InChIKey: SSSNQLHKSUJJTE-UHFFFAOYSA-N
- CAS Registry Number: 1073-96-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 3,5-Dihydroxy-2-methyl-4-pyrone; 3,5-Dihydroxy-2-methyl-4H-pyran-4-one; 5-Hydroxymaltol; 2-Methyl-3,5-dihydroxy-4H-pyran-4-one; 3,5-Dihydroxy-6-methyl-4-pyrone; Hydroxymaltol; 3,5-Dihydroxy-2-methyl-4H-pyran-4-one (hydroxymaltol); 3,5-Dihydroxy-6-methyl-4H-pyran-4-one
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Normal alkane RI, 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 | DB-Wax | Carbowax 20M | DB-Wax |
| Column length (m) | 60. | 50. | 60. |
| Carrier gas | Helium | He | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.50 | 0.25 | |
| Tstart (C) | 40. | 45. | 60. |
| Tend (C) | 210. | 230. | 180. |
| Heat rate (K/min) | 2. | 3. | 2. |
| Initial hold (min) | 5. | ||
| Final hold (min) | 70. | 30. | |
| I | 2309. | 2233. | 2294. |
| Reference | Moon and Shibamoto, 2009 | Cutzach, Chatonnet, et al., 1997 | Sekiwa, Kubota, et al., 1997 |
| Comment | MSDC-RI | 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, 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]
Cutzach, Chatonnet, et al., 1997
Cutzach, I.; Chatonnet, P.; Henry, R.; Dubourdieu, D.,
Identification of volatile compounds with a Toasty aroma in heated oak used in barrelmaking,
J. Agric. Food Chem., 1997, 45, 6, 2217-2224, https://doi.org/10.1021/jf960947d
. [all data]
Sekiwa, Kubota, et al., 1997
Sekiwa, Y.; Kubota, K.; Kobayashi, A.,
Characteristic flavor components in the brew of cooked clam (Meretrix lusoria) and the effect of storage on flavor formation,
J. Agric. Food Chem., 1997, 45, 3, 826-830, https://doi.org/10.1021/jf960433e
. [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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