3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)-

• Formula: C₁₃H₂₀O
• Molecular weight: 192.2973
• IUPAC Standard InChI: InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+ Copy

  
• IUPAC Standard InChIKey: JXJIQCXXJGRKRJ-KOOBJXAQSA-N Copy
• CAS Registry Number: 3548-78-5
• 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.
• Species with the same structure:
  • 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #2 (E,Z-isomer)
  • 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #3 (E,E-isomer)
  • (E,E)-Pseudoionone
• Stereoisomers:
  • 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)-
  • 3,5,9-Undecatrien-2-one, 6,10-dimethyl-
• Other names: trans-ψ-Ionone; trans,trans-Pseudoionone; (E,E)-Pseudoionone; 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #1 (Z,Z-isomer)
• Information on this page:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Options:
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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

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

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, polar column, temperature ramp

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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.

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]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Brun, Bessière, et al., 2001
Brun, G.; Bessière, J.-M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M., Volatile components of Catharanthus roseus (L.) G. Don (Apocynaceae), Flavour Fragr. J., 2001, 16, 2, 116-119, https://doi.org/10.1002/ffj.958 . [all data]

de Beck, Bessière, et al., 2000
de Beck, P.O.; Bessière, J.M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M., Volatile constituents from leaves and wood of Leea guineensis G. Don (Leeaceae) from Cameroon, Flavour Fragr. J., 2000, 15, 3, 182-185, https://doi.org/10.1002/1099-1026(200005/06)15:3<182::AID-FFJ888>3.0.CO;2-X . [all data]

Kawakami, Kobayashi, et al., 1993
Kawakami, M.; Kobayashi, A.; Kator, K., Volatile constituents of Rooibos tea (Aspalathus linearis) as affected by extraction process, J. Agric. Food Chem., 1993, 41, 4, 633-636, https://doi.org/10.1021/jf00028a023 . [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions

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