Methyl glyoxal

• Formula: C₃H₄O₂
• Molecular weight: 72.0627
• IUPAC Standard InChI: InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3 Copy

  
• IUPAC Standard InChIKey: AIJULSRZWUXGPQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 78-98-8
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Pyruvaldehyde; Propanal, 2-oxo-; α-Ketopropionaldehyde; Acetylformaldehyde; Acetylformyl; Pyroracemic aldehyde; Pyruvic aldehyde; 2-Ketopropionaldehyde; 2-Oxopropanal; 1,2-Propanedione; CH3COCHO; Glyoxal, methyl; Propanedione; Propanolone; Propionaldehyde, 2-keto; Propionaldehyde, 2-oxo-; 1-Ketopropionaldehyde; NSC 79019; 2-Oxopropionaldehyde; NSC 626580
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase 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

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

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, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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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.

Moulds and Riley, 1938
Moulds, L.V.; Riley, H.L., The polymerisation of methylglyoxal, J. Chem. Soc., 1938, 621-626. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

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]

Reed and Brand, 1958
Reed, R.I.; Brand, J.C.D., Electron impact studies. Part 4. Glyoxal, methylglyoxal and diacetyl, J. Chem. Soc. Faraday Trans., 1958, 54, 478. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Bendall, 2001
Bendall, J.G., Aroma compounds of fresh milk from New Zealand cows fed different diets, J. Agric. Food Chem., 2001, 49, 10, 4825-4832, https://doi.org/10.1021/jf010334n . [all data]

Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F., Flavour ingredients from fermented dairy streams, Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

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