2(3H)-Furanone, 5-methyl-

• Formula: C₅H₆O₂
• Molecular weight: 98.0999
• IUPAC Standard InChI: InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3 Copy

  
• IUPAC Standard InChIKey: QOTQFLOTGBBMEX-UHFFFAOYSA-N Copy
• CAS Registry Number: 591-12-8
• 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: α-Angelica lactone; β,γ-Angelica lactone; δ2-Angelica lactone; 3-Pentenoic acid, 4-hydroxy-, γ-lactone; 4-Hydroxy-3-pentenoic acid γ-lactone; 5-Methylfuran-2(3H)-one; Penten-3-oic acid, 4-hydroxy-, γ-lactone; 4-Hydroxypent-3-enoic acid lactone; γ-Methyl-β,γ-crotonolactone; 5-Methyl-2(3H)-furanone; 2,3-Dihydro-5-methyl-2-furanone; 2-Oxo-5-methyl-2,3-dihydrofuran; NSC 654; Angelica lactone; 2,3-Dihydro-5-methylfuran-2-one; 5-Methyl-3H-furan-2-one; 5-Methyl-2(3H)-furanone (α-angelicalactone)
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Enthalpy of vaporization

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

=

By formula: C₅H₆O₂ = C₅H₆O₂

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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IR Spectrum

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes

Data compiled by: Coblentz Society, Inc.

• LIQUID; PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas; HP-GC/MS/IRD

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

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]

Taskinen, 1994
Taskinen, E., Relative thermodynamic stabilities of γ-methylene-γ-butyrolactone and α-angelicalactone, Tetrahedron, 1994, 50, 1885-1888. [all data]

Thorstad, Undheim, et al., 1975
Thorstad, O.; Undheim, K.; Cederlund, B.; Hornfeldt, A.-B., Ionisation potentials in tautomeric analysis of 2-hydroxy derivatives of thiophenes, selenophenes, and furans, Acta Chem. Scand. Ser. B:, 1975, 29, 647. [all data]

Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References

• Symbols used in this document:
  

  Tboil	Boiling point
  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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