2,4-Heptanedione, 6-methyl-

• Formula: C₈H₁₄O₂
• Molecular weight: 142.1956
• IUPAC Standard InChI: InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: IGMOYJSFRIASIE-UHFFFAOYSA-N Copy
• CAS Registry Number: 3002-23-1
• 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: 6-Methyl-2,4-heptanedione; 6-Methylheptane-2,4-dione; 6-Methylheptan-2,4-dione
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
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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

Kovats' RI, non-polar column, isothermal

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

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Normal alkane RI, non-polar column, temperature ramp

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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.

Mijin and Antonovic, 2004
Mijin, D.Z.; Antonovic, D.G., Temperature dependence of the Kovats retention indices for alkyl 1,3-diketones on a DB-5 capillary column, J. Serb. Chem. Soc., 2004, 69, 10, 759-767, https://doi.org/10.2298/JSC0410759M . [all data]

Aaslyng, Elmore, et al., 1998
Aaslyng, M.D.; Elmore, J.S.; Mottram, D.S., Comparison of the aroma characteristics of acid-hydrolyzed and enzyme-hydrolyzed vegetable proteins produced from soy, J. Agric. Food Chem., 1998, 46, 12, 5225-5231, https://doi.org/10.1021/jf9806816 . [all data]

Schultz, Kaiser, et al., 1999
Schultz, K.; Kaiser, R.; Knudsen, J.T., Cyclanthone and derivatives, new natural products in the flower scent of Cyclanthus bipartitus Poit., Flavour Fragr. J., 1999, 14, 3, 185-190, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<185::AID-FFJ809>3.0.CO;2-7 . [all data]

Notes

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