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:
  • Normal alkane RI, polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
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Normal alkane RI, polar column, custom temperature program

Go To: Top, References, Notes

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

References

Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes

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

Lee, Chong, et al., 2012
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Welke, Manfroi, et al., 2012
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Johanningsmeier and McFeeters, 2011
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Povolo, Cabassi, et al., 2011
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Kaack and Christensen, 2008
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Zhang, Zhang, et al., 2008
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Dury-Brun, Fournier, et al., 2007
Dury-Brun, C.; Fournier, N.; Pernin, K.; Guichard, E.; Voilley, A., A new approach to studying sponge cake aroma after storage in treated paper and plastic packaging by direct gas chromatography?olfactometry (D-GC-O), Flavour Fragr. J., 2007, 22, 4, 255-264, https://doi.org/10.1002/ffj.1788 . [all data]

Gonzalez-Rios, Suarez-Quiroz, et al., 2007
Gonzalez-Rios, O.; Suarez-Quiroz, M.L.; Boulanger, R.; Barel, M.; Guyot, B.; Guiraud, J.-P.; Schorr-Galindo, S., Impact of ecological post-harvest processing of coffee aroma: II Roasted coffee., J. Food Composition Analysis, 2007, 20, 3-4, 297-307, https://doi.org/10.1016/j.jfca.2006.12.004 . [all data]

Lasekan, Buettner, et al., 2007
Lasekan, O.; Buettner, A.; Christlbauer, M., Investigation of important odorants of palm wine (Elaeis guineensis), Food Chem., 2007, 105, 1, 15-23, https://doi.org/10.1016/j.foodchem.2006.12.052 . [all data]

Narain, Galvao, et al., 2007
Narain, N.; Galvao, M. deS.; Ferreira, D.DaS.; Navarro, D.M.A.F., Flavor biogeneration in Mangaba (Hancornia speciosa Gomes) fruit, BioEng. Campinas, 2007, 1, 1, 25-31. [all data]

Narain, Galvao, et al., 2007, 2
Narain, N.; Galvao, M.S.; Madruga, M.S., Volatile compounds captured through purge and trap technique in caja-umbu (Spondias sp.) fruits during maturation, Food Chem., 2007, 102, 3, 726-731, https://doi.org/10.1016/j.foodchem.2006.06.003 . [all data]

Selli, 2007
Selli, S., Volatile constituents of orange obtained from moro oranges (Citrus Sinensis L. Osbeck), J. Food Quality, 2007, 30, 3, 330-341, https://doi.org/10.1111/j.1745-4557.2007.00124.x . [all data]

Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J., Research advances on the essential oils from leaves of Eucalyptus, Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]

Viegas and Bassoli, 2007
Viegas, M.C.; Bassoli, D.G., Utilizacao do indice de retencao linear para caracterizacao de compostos volateis em cafe soluvel utilizando GC-MS e coluna HP-Innowax, Quim. Nova, 2007, 30, 8, 2031-2034, https://doi.org/10.1590/S0100-40422007000800040 . [all data]

Weldegergis B.T., Tredoux A.G.J., et al., 2007
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Zhang C., Zhang H., et al., 2007
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Kourkoutas, Bosnea, et al., 2006
Kourkoutas, Y.; Bosnea, L.; Taboukos, S.; Baras, C.; Lambrou, D.; Kanellaki, M., Probiotic Cheese Production Using Lactobacillus casei Cells Immobilized on Fruit Pieces, J. Dairy Sci., 2006, 89, 5, 1439-1451, https://doi.org/10.3168/jds.S0022-0302(06)72212-3 . [all data]

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Jales, K.A.; Maia, G.A.; Garruti, D.S.; Neto, M.A.S.; Janzantti, N.S.; Franco, M.R.B., Evaluation de los compuestos odoriferos del jugo de maracuya amarillo por GC-MS y GC-O (OSME), Alimentis y bebidas, 2005, 3, 12-14. [all data]

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Vinogradov, 2004
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Garruti, Franco, et al., 2003
Garruti, D.S.; Franco, M.R.B.; da Silva, M.A.A.P.; Janzantti, N.S.; Alves, G.L., Evaluation of volatile flavour compounds from cashew apple (Anacardium occidentale L) juice by the Osme gas chromatography/olfactometry technique, J. Sci. Food Agric., 2003, 83, 14, 1455-1462, https://doi.org/10.1002/jsfa.1560 . [all data]

Mayorga, Knapp, et al., 2001
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Waggott and Davies, 1984
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Notes

Go To: Top, Normal alkane RI, polar column, custom temperature program, References

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