Acetoin

• Formula: C₄H₈O₂
• Molecular weight: 88.1051
• IUPAC Standard InChI: InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3 Copy

  
• IUPAC Standard InChIKey: ROWKJAVDOGWPAT-UHFFFAOYSA-N Copy
• CAS Registry Number: 513-86-0
• 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.
• Species with the same structure:
  • Acetoin
• Stereoisomers:
  • 2-Butanone, 3-hydroxy-, (R)-
• Other names: 2-Butanone, 3-hydroxy-; γ-Hydroxy-β-oxobutane; Acetyl methyl carbinol; Dimethylketol; Methanol, acetylmethyl-; 1-Hydroxyethyl methyl ketone; 2-Hydroxy-3-butanone; 2,3-Butanolone; 3-Hydroxy-2-butanone; 2-Butanol-3-one; UN 2621; 2-Hydroxy-3-oxobutane; 3-Hydroxybutan-2-one; 3-Hydroxyl-2-butanone; Butan-2-one, 3-hydroxy-; NSC 7609; acetoine; 3-hydroxy-2-butanone (acetoin); 3-hydroxybutan-2-one (acetoin); 3-hydroxy-2-butanone (acetoine); acetoin (3-hydroxy-2-butanone
• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C₄H₈O₂⁺ (ion structure unspecified)

Appearance energy determinations

IR Spectrum

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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

Gas Phase Spectrum

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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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.

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]

Notes

Go To: Top, Gas phase ion energetics data, IR Spectrum, References

• Symbols used in this document:
  

  AE	Appearance energy

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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