Ethanone, 1-(2-hydroxyphenyl)-

• Formula: C₈H₈O₂
• Molecular weight: 136.1479
• IUPAC Standard InChI: InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3 Copy

  
• IUPAC Standard InChIKey: JECYUBVRTQDVAT-UHFFFAOYSA-N Copy
• CAS Registry Number: 118-93-4
• 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: Acetophenone, 2'-hydroxy-; o-Acetylphenol; o-Hydroxyacetophenone; o-Hydroxyphenyl methyl ketone; 2-Acetylphenol; 2'-Hydroxyacetophenone; 1-(2-Hydroxyphenyl)ethanone; Acetophenone, o-hydroxy-; USAF KE-20; 2-Hydroxyacetylbenzene; 2-Hydroxyphenyl methyl ketone; Methyl 2-hydroxyphenyl ketone; NSC 16933
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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Condensed 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Enthalpy of vaporization

Enthalpy of fusion

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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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, polar column, temperature ramp

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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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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bonino, Manzoni-Ansidei, et al., 1937
Bonino, G.B.; Manzoni-Ansidei, R.; Rolla, M., Contributi sperimentali al probema della chelazione. VI. Ricerche termochimiche su acetilfenoli e acetil-resorcine, Ricerca Sci., 1937, 8, 357-360. [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]

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]

Coulthard, Marshall, et al., 1930
Coulthard, C.E.; Marshall, J.; Pyman, F.L., The Variation of Phenol Coefficients in a Homologous Series of Phenols, J. Chem. Soc., 1930, 1930, 280. [all data]

Bernardes and Minas da Piedade, 2008
Bernardes, Carlos E.S.; Minas da Piedade, Manuel E., Energetics of the O-H Bond and of Intramolecular Hydrogen Bonding in HOC ₆ H ₄ C(O)Y (Y = H, CH ₃ , CH ₂ CH«58875»CH ₂ , C«58876»CH, CH ₂ F, NH ₂ , NHCH ₃ , NO ₂ , OH, OCH ₃ , OCN, CN, F, Cl, SH, and SCH ₃ ) Compounds, J. Phys. Chem. A, 2008, 112, 40, 10029-10039, https://doi.org/10.1021/jp804455u . [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]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Righezza, Hassani, et al., 1996
Righezza, M.; Hassani, A.; Meklati, B.Y.; Chrétien, J.R., Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatography, J. Chromatogr. A, 1996, 723, 1, 77-91, https://doi.org/10.1016/0021-9673(95)00816-0 . [all data]

Hassani and Meklati, 1992
Hassani, A.; Meklati, B.Y., Gas chromatographic behaviour of monosubstituted benzenes, benzaldehydes and acetophenones on OV polymethylphenyl-silicone stationary phases, Chromatographia, 1992, 33, 5/6, 267-271, https://doi.org/10.1007/BF02276193 . [all data]

Haken and Abraham, 1988
Haken, J.K.; Abraham, F., Demonstration of intermolecular and intramolecular hydrogen bonding by gas chromatographic measurements, J. Chromatogr., 1988, 440, 329-332, https://doi.org/10.1016/S0021-9673(00)94536-9 . [all data]

Yamaguchi and Shibamoto, 1979
Yamaguchi, K.; Shibamoto, T., Volatile constituents of Castanopsis flower, J. Agric. Food Chem., 1979, 27, 4, 847-850, https://doi.org/10.1021/jf60224a025 . [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

Radulovic, Blagojevic, et al., 2009
Radulovic, N.S.; Blagojevic, P.D.; Palic, R.M.; Zlatkovic, B.K.; Stevanovic, B.M., Volatiles from vegetative organs of the paleoendemic resurrection plants Ramonda serbica Panc. and Ramonda nathaliae Panc. at Petrov, J. Serb. Chem. Soc., 2009, 74, 1, 35-44, https://doi.org/10.2298/JSC0901035R . [all data]

Mastelic, Jerkovic, et al., 2006
Mastelic, J.; Jerkovic, I.; Mesic, M., Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L., Flavour Fragr. J., 2006, 21, 2, 306-313, https://doi.org/10.1002/ffj.1596 . [all data]

Ebrahimi and Hadjmohammadi, 2006
Ebrahimi, P.; Hadjmohammadi, M.R., Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN, QSAR Comb. Sci., 2006, 25, 10, 836-845, https://doi.org/10.1002/qsar.200530145 . [all data]

Yamaguchi and Shibamoto, 1980
Yamaguchi, K.; Shibamoto, T., Volatile constituents of the chestnut flower, J. Agric. Food Chem., 1980, 28, 1, 82-84, https://doi.org/10.1021/jf60227a021 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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