4-Heptanone, 2-methyl-

• Formula: C₈H₁₆O
• Molecular weight: 128.2120
• IUPAC Standard InChI: InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: AKRJXOYALOGLHQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 626-33-5
• 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: Isobutyl propyl ketone; 2-Methyl-4-heptanone; 2-methylheptan-4-one
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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

Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, 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.

Stutsman and Adkins, 1939
Stutsman, P.S.; Adkins, H., Hydrogenation of 1,3-Diketones to Ketols, J. Am. Chem. Soc., 1939, 61, 3303-6. [all data]

Michael, 1919
Michael, A., J. Am. Chem. Soc., 1919, 41, 393. [all data]

Pandey-Rai S., Mallavarapu G.R., et al., 2006
Pandey-Rai S.; Mallavarapu G.R.; Naqvi A.A.; Yadav A.; Rai S.K.; Srivastava S.; Singh D.; Mishra R.; Kumar S., Volatile components of leaves and flowers of periwinkle Catharanthus roseus (L.) G. Don from New Delhi, Flavour Fragr. J., 2006, 21, 3, 427-430, https://doi.org/10.1002/ffj.1606 . [all data]

Ferretti, Maggi, et al., 2005
Ferretti, G.; Maggi, F.; Tirillini, B., Essential oil composition of Hypericum richeri Vill. from Italy, Flavour Fragr. J., 2005, 20, 3, 295-298, https://doi.org/10.1002/ffj.1412 . [all data]

Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M., The essential oil composition of Phlomis bruguieri Desf. from Iran, Flavour Fragr. J., 2005, 20, 3, 344-346, https://doi.org/10.1002/ffj.1459 . [all data]

Notes

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

• Symbols used in this document:
  

  Tboil

  Boiling point

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