2H-Pyran-2-one, 4,6-dimethyl-
- Formula: C7H8O2
- Molecular weight: 124.1372
- IUPAC Standard InChI: InChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3
- IUPAC Standard InChIKey: IXYLIUKQQQXXON-UHFFFAOYSA-N
- CAS Registry Number: 675-09-2
- 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: Sorbic acid, 5-hydroxy-3-methyl-, δ-lactone; Mesitene lactone; 2,4-Dimethyl-α-pyrone; 4,6-Dimethyl-α-pyrone; 4,6-Dimethyl-2-pyrone; 4,6-Dimethylcoumalin; 4,6-Dimethyl-2H-pyran-2-one
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Gas phase ion energetics 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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C7H8O2+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.51 | EI | Grutzmacher and Spilker, 1985 | LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H8O+ | 9.85 | CO | EI | Grutzmacher and Spilker, 1985 | LBLHLM |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Grutzmacher and Spilker, 1985
Grutzmacher, H.-F.; Spilker, R.,
Loss of CO from 4,6-dimethyl-2-pyrone and 2,6-dimethyl-4-pyrone radical cations,
Org. Mass Spectrom., 1985, 20, 258. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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