Butanoic acid, 3-hexenyl ester, (E)-

• Formula: C₁₀H₁₈O₂
• Molecular weight: 170.2487
• IUPAC Standard InChI: InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5+ Copy

  
• IUPAC Standard InChIKey: ZCHOPXVYTWUHDS-AATRIKPKSA-N Copy
• CAS Registry Number: 53398-84-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Isotopologues:
  • 3E-hexenyl-d3 butanoate
  • 3E-hexenyl-d3 butanoate-d3
• Stereoisomers:
  • Butanoic acid, 3-hexenyl ester, (Z)-
  • 3-Hexen-1-ol, butanoate
• Other names: trans-3-Hexenyl butyrate; 3-Hexenyl butyrate (E); (3E)-3-Hexenyl butyrate; Butanoic acid, (E)-3-hexenyl ester; (E)-3-Hexen-1-ol, butanoate; (E)-3-Hexenyl butanoate; (E)-3-Hexenyl butyrate; E-Hex-3-en-1-yl butyrate; (E)-Hex-3-enyl n-butyrate; (E)-hex-3-enyl butyrate
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• Information on this page:
  • Kovats' RI, non-polar column, isothermal
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Kovats' RI, non-polar column, isothermal

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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, Kovats' RI, non-polar column, isothermal, Notes

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

Haken, Madden, et al., 1985
Haken, J.K.; Madden, B.G.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXXI. Butanoyl and monochlorobutanoyl esters of lower saturated branched chain and unsaturated alcohols on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 325, 61-73, https://doi.org/10.1016/S0021-9673(00)96008-4 . [all data]

Ashes and Haken, 1975
Ashes, J.R.; Haken, J.K., Gas chromatography of homologous esters. IX. Structure-retention increments of unsaturated esters, J. Chromatogr., 1975, 111, 1, 171-187, https://doi.org/10.1016/S0021-9673(01)80159-X . [all data]

Notes

Go To: Top, Kovats' RI, non-polar column, isothermal, References

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