Hexanoic acid, 3-hexenyl ester

• Formula: C₁₂H₂₂O₂
• Molecular weight: 198.3019
• IUPAC Standard InChI: InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5+ Copy

  
• IUPAC Standard InChIKey: RGACQXBDYBCJCY-FNORWQNLSA-N Copy
• CAS Registry Number: 84434-19-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • (E)-3-hexenyl hexanoate
• Isotopologues:
  • 3E-hexenyl-d3 hexanoate
  • 3E-hexenyl-d3 hexanoate-d3
• Stereoisomers:
  • Hexanoic acid, 3-hexenyl ester, (Z)-
• Other names: Hex-3-enyl hexanoate; 3-Hexenyl hexanoate; 3-Hexen-1-ol hexanoate
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
• Options:
  • Switch to calorie-based units

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, custom temperature program

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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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.

Riu-Aumatell, Castellari, et al., 2004
Riu-Aumatell, M.; Castellari, M.; López-Tamames, E.; Galassi, S.; Buxaderas, S., Characterisation of volatile compounds of fruit juices and nectars by HS/SPME and GC/MS, Food Chem., 2004, 87, 4, 627-637, https://doi.org/10.1016/j.foodchem.2003.12.033 . [all data]

Carasek and Pawliszyn, 2006
Carasek, E.; Pawliszyn, J., Screening of Tropical Fruit Volatile Compounds Using Solid-Phase Microextraction (SPME) Fibers and Internally Cooled SPME Fiber, J. Agric. Food Chem., 2006, 54, 23, 8688-8696, https://doi.org/10.1021/jf0613942 . [all data]

Notes

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