3-Buten-2-one, 4-phenyl-, (E)-

• Formula: C₁₀H₁₀O
• Molecular weight: 146.1858
• IUPAC Standard InChI: InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+ Copy

  
• IUPAC Standard InChIKey: BWHOZHOGCMHOBV-BQYQJAHWSA-N Copy
• CAS Registry Number: 1896-62-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • 3-Buten-2-one, 4-phenyl-
  • (Z)-4-Phenylbut-3-en-2-one
• Other names: trans-Benzalacetone; trans-Benzylidenacetone; trans-Benzylideneacetone; Methyl trans-styryl ketone; trans-4-Phenyl-3-butene-2-one; TPBO; trans-4-Phenyl-3-buten-2-one; (3E)-4-Phenyl-3-buten-2-one; (E)-1-Buten-3-one, 1-phenyl; (E)-4-Phenylbut-3-en-2-one; trans-4-phenylbut-3-en-2-one
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • 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: Robert L. Brown and Stephen E. Stein

Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 +  =

By formula: H₂ + C₁₀H₁₀O = C₁₀H₁₂O

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

UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

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, non-polar column, custom temperature program

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

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

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]

Veselova and Sul'man, 1980
Veselova, M.E.; Sul'man, E.M., Effect of the chemical structure of α,β-unsaturated esters and ketones on the selectivity of their hydrogenation, Svoistva Veshchestv i Stroenie Molekul, Kalinin, 1980, 140-143. [all data]

Lang (editor), 1961
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1961, 2, 231. [all data]

Mevy, Bessiere, et al., 2004
Mevy, J.P.; Bessiere, J.M.; Pelissier, Y.; Masotti, V.; Ruzzier, M.; Rabier, J.; Viano, J., Composition of the volatile constituents of the aerial parts of an endemic plant of Ivory Coast, Monanthotaxis capea (E.G. A. Camus) Verdc, Flavour Fragr. J., 2004, 19, 6, 526-528, https://doi.org/10.1002/ffj.1329 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔrH°	Enthalpy of reaction at standard conditions

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