trans-β-Ionone

• Formula: C₁₃H₂₀O
• Molecular weight: 192.2973
• IUPAC Standard InChI: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+ Copy

  
• IUPAC Standard InChIKey: PSQYTAPXSHCGMF-BQYQJAHWSA-N Copy
• CAS Registry Number: 79-77-6
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
  • β-Ionone isomer # 2
• Other names: 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-; (E)-β-Ionone; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; β-E-Ionone; [E]-4-[2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-; β-Ionone; β-lonone; β-Ionone isomer # 1; (E)-4-(2,6,6-Trimethylcyclohexen-1-yl)-3-buten-2-one; (3E)-4-(2,6,6-trimethylcyclohex-1-enyl)-3-buten-2-one (dihydro-β-ionone)
• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

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
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Enthalpy of vaporization

References

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

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

Gerasimov, Gubareva, et al., 1985
Gerasimov, P.A.; Gubareva, A.I.; Beregovykh, V.V.; Blokh, E.L., The Physicochemical properties of a ψ- and β-ionones, Russ. J. Phys. Chem. (Engl. Transl.), 1985, 59, 1712-1713. [all data]

Baglay, Gurariy, et al., 1988
Baglay, A.K.; Gurariy, L.L.; Kuleshov, G.G., Physical properties of compounds used in vitamin synthesis, J. Chem. Eng. Data, 1988, 33, 512-518. [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]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, References

• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  Tboil	Boiling point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔvapH	Enthalpy of vaporization

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