Ethanone, 1-(2,4,6-trimethylphenyl)-

• Formula: C₁₁H₁₄O
• Molecular weight: 162.2283
• IUPAC Standard InChI: InChI=1S/C11H14O/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6H,1-4H3 Copy

  
• IUPAC Standard InChIKey: XWCIICLTKWRWCI-UHFFFAOYSA-N Copy
• CAS Registry Number: 1667-01-2
• 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: Acetophenone, 2',4',6'-trimethyl-; Acetomesitylene; Mesityl methyl ketone; Methyl 2,4,6-trimethylphenyl ketone; 2',4',6'-Trimethylacetophenone; 1-(2,4,6-Trimethylphenyl)-ethanone; 2,4,6-Trimethyl-acetophenone; Acetylmesitylene; 1,3,5-Trimethyl-2-acetylbenzene; 1-(2,4,6-Trimethylphenyl)-1-ethanone; 1-Acetyl-2,4,6-trimethylbenzene; Methyl mesityl ketone; NSC 65636
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
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Gas phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Reduced pressure boiling point

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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

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

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.

Baker and Tweed, 1941
Baker, J.W.; Tweed, W.T., Mechanism of aromatic side-chain reactions, with special reference to the polar effects of substituents. Part X. Physical and chemical evidence relating to the polar effect of o-methyl substituents in derivatives of the type C₆H₂Me₃.CO.CH₂R, J. Chem. Soc., 1941, 796-802. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Wentworth and Ristau, 1969
Wentworth, W.E.; Ristau, W., Thermal Electron Attachment Involving a Change in Molecular Geometry, J. Phys. Chem., 1969, 73, 7, 2126, https://doi.org/10.1021/j100727a005 . [all data]

Centineo, Fragala, et al., 1978
Centineo, G.; Fragala, I.; Bruno, G.; Spampinato, S., Photoelectron spectroscopy of benzophenone, acetophenone and their ortho-alkyl derivatives, J. Mol. Struct., 1978, 44, 203. [all data]

Notes

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• Symbols used in this document:
  

  EA	Electron affinity
  Tboil	Boiling point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

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