2H-Pyran-2-one, 4-methoxy-6-methyl-
- Formula: C7H8O3
- Molecular weight: 140.1366
- IUPAC Standard InChI: InChI=1S/C7H8O3/c1-5-3-6(9-2)4-7(8)10-5/h3-4H,1-2H3
- IUPAC Standard InChIKey: MTZAUZNQAMNFME-UHFFFAOYSA-N
- CAS Registry Number: 672-89-9
- 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: Methyltriacetolactone; 4-Methoxy-6-methyl-2H-pyran-2-one; Methyltriacetolacton; 2H-Pyran-2-one, 6-methyl-4-methoxy
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Phase change data
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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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 13.7 | 400. | A | Stephenson and Malanowski, 1987 | Based on data from 385. to 434. K. |
Reaction thermochemistry data
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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Individual Reactions
=
By formula: C7H8O3 = C7H8O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -5.7 ± 0.6 | kcal/mol | Ciso | Beak, Mueller, et al., 1974 | liquid phase; solvent: 1,2-Dichloroethane; #LED |
| ΔrH° | -8.8 ± 2.1 | kcal/mol | Ciso | Beak, Mueller, et al., 1974 | gas phase; Hr gas phase |
Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1297. | Peppard, 1992 | 30. m/0.25 mm/1.0 μm, He, 3. K/min, 250. C @ 30. min; Tstart: 40. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Beak, Mueller, et al., 1974
Beak, P.; Mueller, D.S.; Lee, J.,
Equilibration studies. Determination of the enthalpy difference between methyltropic isomers from heats of methylation,
J. Am. Chem. Soc., 1974, 96, 3867-3874. [all data]
Peppard, 1992
Peppard, T.L.,
Volatile flavor constituents of Monstera deliciosa,
J. Agric. Food Chem., 1992, 40, 2, 257-262, https://doi.org/10.1021/jf00014a018
. [all data]
Notes
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- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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