Methional

• Formula: C₄H₈OS
• Molecular weight: 104.171
• IUPAC Standard InChI: InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3 Copy

  
• IUPAC Standard InChIKey: CLUWOWRTHNNBBU-UHFFFAOYSA-N Copy
• CAS Registry Number: 3268-49-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Propanal, 3-(methylthio)-; Propionaldehyde, 3-(methylthio)-; β-(Methylmercapto)propionaldehyde; β-(Methylthio)propionaldehyde; 3-(Methylmercapto)propionaldehyde; 3-(Methylthio)propionaldehyde; 3-Methylthiopropional; Methylmercaptopropionic aldehyde; 3-(Methylthio)propanal; 4-Thiapentanal; UN 2785; 3-(Methythio)-propanal; 3-Methylmercaptopropyl aldehyde; NSC 15874; 3-(methylthio)propanal (methional); 3-Methylthio-1-propanal; 3-(methylsulfanyl)propanal; 3-(methylthio)propionaldehyde (methional); 3-(methylthiol)propanal
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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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 by: Robert L. Brown and Stephen E. Stein

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Van Den Dool and Kratz RI, polar column, temperature ramp

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Van Den Dool and Kratz RI, polar column, custom temperature program

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Aldrich Chemical Company Inc., 1990
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Klesk and Qian, 2003, 2
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Byrne, Bredie, et al., 2002
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Fuhrmann and Grosch, 2002
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Jezussek, Juliano, et al., 2002
Jezussek, M.; Juliano, B.O.; Schieberle, P., Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis, J. Agric. Food Chem., 2002, 50, 5, 1101-1105, https://doi.org/10.1021/jf0108720 . [all data]

Kirchhoff and Schieberle, 2002
Kirchhoff, E.; Schieberle, P., Quantitation of odor-active compounds in rye flour and rye sourdough using stable isotope dilution assays, J. Agric. Food Chem., 2002, 50, 19, 5378-5385, https://doi.org/10.1021/jf020236h . [all data]

Oruna-Concha, Bakker, et al., 2002
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Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  Tboil

  Boiling point

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