2-Heptanone, 5-methyl-

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

  
• IUPAC Standard InChIKey: WYDAUGNQLUXTFB-UHFFFAOYSA-N Copy
• CAS Registry Number: 18217-12-4
• 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: 5-Methyl-2-heptanone
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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

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.

Colonge and Brunie, 1963
Colonge, G.; Brunie, J.C., Bull. Soc. Shim. Fr., 1963, 1963, 1799-1802. [all data]

Djerassi and Geller, 1959
Djerassi, C.; Geller, L.E., Optical rotary dispersion studies: xxiv effect of distance of a single asymmetric center from an aliphatic carbonyl function, J. Am. Chem. Soc., 1959, 81, 2789. [all data]

Notes

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

• Symbols used in this document:
  

  Tboil

  Boiling point

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