3-Buten-2-one, 3-methyl-

• Formula: C₅H₈O
• Molecular weight: 84.1164
• IUPAC Standard InChI: InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3 Copy

  
• IUPAC Standard InChIKey: ZGHFDIIVVIFNPS-UHFFFAOYSA-N Copy
• CAS Registry Number: 814-78-8
• 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: Isopropenyl methyl ketone; Methyl isopropenyl ketone; CH2=C(CH3)C(=O)CH3; Ketone, methyl isopropenyl; 2-Methyl-1-buten-3-one; 3-Methyl-3-buten-2-on; 3-Methyl-3-buten-2-one; UN 1246; 3- Methyl-3- butene-2- one; 3- Methyl-3- butene-2- one (methyl isopropenyl ketone); 3-methylbut-3-en-2-one
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• Information on this page:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
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Normal alkane RI, non-polar column, temperature ramp

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, non-polar column, temperature ramp, Notes

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

Heravi and Sereshti, 2007
Heravi, M.J.; Sereshti, H., Determination of Essential Oil Components of Artemisia haussknechtii Boiss. using Simultaneous Hydrodistillation-Static Headspace Liquid Phase Microextraction - Gas Chromatography Mass Spectrometry, J. Chromatogr. A, 2007, 1160, 1-2, 81-89, https://doi.org/10.1016/j.chroma.2007.05.096 . [all data]

Sereshti and Samadi, 2007
Sereshti, H.; Samadi, S., Comparison of hydrodistillation-headspace liquid phase microextraction techniques with hydrodistillation in determination of essential oils in Artemisia Haussknechtii Boiss, JSUT, 2007, 33, 2, 7-17. [all data]

Tai and Ho, 1998
Tai, C.-Y.; Ho, C.-T., Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds, J. Agric. Food Chem., 1998, 46, 6, 2260-2265, https://doi.org/10.1021/jf971111t . [all data]

Lu, Yu, et al., 1997
Lu, G.; Yu, T.-H.; Ho, C.-T., Generation of flavor compounds by the reaction of 2-deoxyglucose with selected amino acids, J. Agric. Food Chem., 1997, 45, 1, 233-236, https://doi.org/10.1021/jf960609c . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

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