1-Hexen-3-one

• Formula: C₆H₁₀O
• Molecular weight: 98.1430
• IUPAC Standard InChI: InChI=1S/C6H10O/c1-3-5-6(7)4-2/h4H,2-3,5H2,1H3 Copy

  
• IUPAC Standard InChIKey: JTHNLKXLWOXOQK-UHFFFAOYSA-N Copy
• CAS Registry Number: 1629-60-3
• 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: Propyl vinyl ketone; Vinyl propyl ketone; hex-1-en-3-one
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₆H₁₀O⁺ (ion structure unspecified)

Appearance energy determinations

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

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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

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, Gas phase ion energetics 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.

Terlouw, Heerma, et al., 1980
Terlouw, J.K.; Heerma, W.; Holmes, J.L.; Burgers, P.C., Structure and formation of gaseous [C₄H₆O]⁺ ions. 1-The enolic ions [_CH₂=C(OH)-CH=CH₂]⁺ and [CH₂=CH-CH=CH(OH)]⁺ and their relationship with their keto counterparts, Org. Mass Spectrom., 1980, 15, 582. [all data]

Lozano P.R., Miracle E.R., et al., 2007
Lozano P.R.; Miracle E.R.; Krause A.J.; Drake M.; Cadwallader K.R., Effect of cold storage and packaging material on the major aroma components of sweet cream butter, J. Agric. Food Chem., 2007, 55, 19, 7840-7846, https://doi.org/10.1021/jf071075q . [all data]

Schlutt B., Moran N., et al., 2007
Schlutt B.; Moran N.; Schieberle P.; Hofmann T., Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream, J. Agric. Food Chem., 2007, 55, 23, 9634-9645, https://doi.org/10.1021/jf0721545 . [all data]

Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R., Characterization of nutty flavor in cheddar cheese, J. Dairy Sci., 2004, 87, 7, 1999-2010, https://doi.org/10.3168/jds.S0022-0302(04)70017-X . [all data]

Peterson and Reineccius, 2003
Peterson, D.G.; Reineccius, G.A., Characterization of the volatile compounds that constitute fresh sweet cream butter aroma, Flavour Fragr. J., 2003, 18, 3, 215-220, https://doi.org/10.1002/ffj.1192 . [all data]

Peterson and Reineccius, 2003, 2
Peterson, D.G.; Reineccius, G.A., Determination of the aroma impact compounds in heated sweet cream butter, Flavour Fragr. J., 2003, 18, 4, 320-324, https://doi.org/10.1002/ffj.1228 . [all data]

Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A., Volatile flavor components of stored nonfat dry milk, J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a . [all data]

Lee, Suriyaphan, et al., 2001
Lee, G.-H.; Suriyaphan, O.; Cadwallader, K.R., Aroma components of cooked tail meat of American lobster (Homarus americanus), J. Agric. Food Chem., 2001, 49, 9, 4324-4332, https://doi.org/10.1021/jf001523t . [all data]

Künzel, Breuer, et al., 2006
Künzel, H.; Breuer, K.; Mayer, F.; Sedlbauer, K., Luftqualität und Zufriedenheit - Verbesserung von Innenraumluftqualität und Nutzerzufriedenheit durch Materialgeruchsverbesserung, WKSB : Zeitschrift fur Warmeschutz, Kalteschutz, Schallschutz, Brandschutz, 2006, 57, 49-57. [all data]

Zehentbauer and Reineccius, 2002
Zehentbauer, G.; Reineccius, G.A., Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay, Flavour Fragr. J., 2002, 17, 4, 300-305, https://doi.org/10.1002/ffj.1102 . [all data]

Munk, Munch, et al., 2000
Munk, S.; Munch, P.; Stahnke, L.; Adler-Nissen., J.; Schieberle, P., Primary odorants of laundry soiled with sweat/sebum: influence of lipase on the odor profile, Journal of Surfactants and Detergents, 2000, 3, 4, 505-515, https://doi.org/10.1007/s11743-000-0150-z . [all data]

Munk, Johansen, et al., 2001
Munk, S.; Johansen, C.; Stahnke, L.H.; Adler-Nissen, J., Microbial survival and odor in laundry, Journal of Surfactants and Detergents, 2001, 4, 4, 385-394, https://doi.org/10.1007/s11743-001-0192-2 . [all data]

Watcharananun, Cadwallader, et al., 2009
Watcharananun, W.; Cadwallader, K.R.; Huangrak, K.; Kim, H.; Lorjaroenphon, Y., Identification of predominant odorants in Thai desserts flavored by smoking with Tian Op, a traditional Thai scented candle, J. Agric. Food Chem., 2009, 57, 3, 996-1005, https://doi.org/10.1021/jf802674c . [all data]

Berdague, Tournayre, et al., 2007
Berdague, J.L.; Tournayre, P.; Cambou, S., Novel multi-gas chromatography?olfactometry device and software for the identification of odour-active compounds, J. Chromatogr. A, 2007, 1146, 1, 85-92, https://doi.org/10.1016/j.chroma.2006.12.102 . [all data]

Jiménez, Aguilera, et al., 2006
Jiménez, A.; Aguilera, M.P.; Beltrán, G.; Uceda, M., Application of solid-phase microextraction to virgin olive oil quality control, J. Chromatogr. A, 2006, 1121, 1, 140-144, https://doi.org/10.1016/j.chroma.2006.05.005 . [all data]

Roberts and Acree, 1996
Roberts, D.D.; Acree, T.E., Effects of heating and cream addition on fresh raspberry aroma using a retronasal aroma simulator and gas chromatography olfactometry, J. Agric. Food Chem., 1996, 44, 12, 3919-3925, https://doi.org/10.1021/jf950701t . [all data]

Buettner, 2007
Buettner, A., A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples, Flavour Fragr. J., 2007, 22, 6, 465-473, https://doi.org/10.1002/ffj.1822 . [all data]

Zehentbauer and Grosch, 1998
Zehentbauer, G.; Grosch, W., Crust aroma of baguettes. I. Key odorants of baguettes prepared in two different ways, J. Cereal Science, 1998, 28, 1, 81-92, https://doi.org/10.1006/jcrs.1998.0184 . [all data]

Schermann and Schieberle, 1997
Schermann, P.; Schieberle, P., Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses, J. Agric. Food Chem., 1997, 45, 3, 867-872, https://doi.org/10.1021/jf960670h . [all data]

Blank, Fischer, et al., 1989
Blank, I.; Fischer, K.-H.; Grosch, W., Intensive neutral odourants of linden honey, Z. Lebensm. Unters. Forsch., 1989, 189, 5, 426-433, https://doi.org/10.1007/BF01028316 . [all data]

Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I., Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS, Scientia Pharmaceutica, 1996, 64, 83-91. [all data]

Blank, Stampfli, et al., 1994
Blank, I.; Stampfli, A.; Eisenreich, W., Analysis of food flavourings by gas chromatography - olfactometry in Trends of Flavour Research, Maarse, H.; van der Heij, D.G., ed(s)., 1994, 271-276. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  AE	Appearance energy

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