3,5-Heptadien-2-one, 6-methyl-, (E)-

• Formula: C₈H₁₂O
• Molecular weight: 124.1803
• IUPAC Standard InChI: InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4+ Copy

  
• IUPAC Standard InChIKey: KSKXSFZGARKWOW-GQCTYLIASA-N Copy
• CAS Registry Number: 16647-04-4
• 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.
• Species with the same structure:
  • 6-Methyl-3,5-heptadienone
• Stereoisomers:
  • 6-Methyl-3,5-heptadiene-2-one
  • 6-methyl-(Z)-3,5-heptadien-2-one
  • (3Z)-6-Methyl-3,5-heptadien-2-one
• Other names: (3E)-6-Methyl-3,5-heptadien-2-one; 6-methyl-(E)-3,5-heptadien-2-one; (E)-6-methyl-3,5-heptadien-2-one; (E)-6-Methyl-3,5-heptadienone; (E)-6-methylhepta-3,5-dien-2-one; 6-Methyl-trans-3,5-heptadien-2-one; 6-Methyl-(E,E)-3,5-heptadien-2-one; 6-methyl-(E,Z)-3,5-heptadien-2-one
• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Options:
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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

Van Den Dool and Kratz RI, polar column, temperature ramp

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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.

Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion, J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037 . [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]

Utsunomia, Kawata, et al., 2005
Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M., Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc., J. Oleo Sci., 2005, 54, 11, 609-612, https://doi.org/10.5650/jos.54.609 . [all data]

Buttery, Takeoka, et al., 1990
Buttery, R.G.; Takeoka, G.; Teranishi, R.; Ling, L.C., Tomato aroma components: identification of glycoside hydrolysis volatiles, J. Agric. Food Chem., 1990, 38, 11, 2050-2053, https://doi.org/10.1021/jf00101a010 . [all data]

Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G., Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties, Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056 . [all data]

Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A., Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma, J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037 . [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]

Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A., Volatitle constituents of greem mate and roasted mate, J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016 . [all data]

Notes

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