Hexanoic acid, 3-hexenyl ester, (Z)-

• 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-ALCCZGGFSA-N Copy
• CAS Registry Number: 31501-11-8
• 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.
• Isotopologues:
  • 3Z-hexenyl-d3 hexanoate
  • 3Z-hexenyl-d3 hexanoate-d3
• Stereoisomers:
  • (E)-3-hexenyl hexanoate
  • Hexanoic acid, 3-hexenyl ester
• Other names: cis-3-Hexenyl hexanoate; cis-Hexanoic acid, 3-hexenyl ester; cis-3-Hexenyl caproate; cis-3-Hexenyl hexoate; n-Caproic acid cis-3-hexenyl ester; cis-3-Hexenyl n-hexanoate; (3Z)-3-Hexenyl hexanoate; 3-Hexen-1-ol hexanoate, cis; 3-Hexen-1-ol, hexanoate, (Z)-; 3-Hexenyl hexanoate, (Z)-; (Z)-3-Hexen-1-ol, hexanoate; (Z)-3-Hexenyl hexanoate; Hexanoic acid, (3Z)-3-hexen-1-yl ester; Hexanoic acid, (3Z)-3-hexenyl ester; (Z)-hex-3-enyl hexanoate
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• Information on this page:
  • Normal alkane RI, polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Normal alkane RI, polar column, custom temperature program

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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

References

Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes

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

Demirci and Baser, 2004
Demirci, F.; Baser, K.H.C., The volatiles of fresh-cut Osyris alba L. flowers, Flavour Fragr. J., 2004, 19, 1, 72-73, https://doi.org/10.1002/ffj.1299 . [all data]

Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C., Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey, Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677 . [all data]

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

Demirci, Demirci, et al., 2003
Demirci, B.; Demirci, F.; Baser, K.H.C., Composition of the essential oil of Cotinus coggygria Scop. from Turkey, Flavour Fragr. J., 2003, 18, 1, 43-44, https://doi.org/10.1002/ffj.1149 . [all data]

Binder and Flath, 1989
Binder, R.G.; Flath, R.A., Volatile components of pineapple guava, J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034 . [all data]

MacLeod and Pieris, 1981
MacLeod, A.J.; Pieris, N.M., Volatile flavor components of beli fruit (Aegle marmelos) and a processed product, J. Agric. Food Chem., 1981, 29, 6, 1262-1264, https://doi.org/10.1021/jf00108a040 . [all data]

Notes

Go To: Top, Normal alkane RI, polar column, custom temperature program, References

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