2-Hexen-1-ol, acetate, (E)-

• Formula: C₈H₁₄O₂
• Molecular weight: 142.1956
• IUPAC Standard InChI: InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+ Copy

  
• IUPAC Standard InChIKey: HRHOWZHRCRZVCU-AATRIKPKSA-N Copy
• CAS Registry Number: 2497-18-9
• 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:
  • 2-Hexen-1-ol, acetate
• Isotopologues:
  • 2E-hexenyl-d3 acetate
• Stereoisomers:
  • 3-Hexen-1-ol, acetate
  • 2-Hexen-1-ol, acetate, (Z)-
• Other names: trans-2-Hexenyl acetate; 2-Hexen-1-ol acetate; Hex-2-enyl acetate, trans-; 2-Hexenyl acetate, trans-; 2-Hexen-1-yl-acetate, (E)-; (E)-2-Hexenyl acetate; (E)-2-Hexen-1-yl acetate; (E)-Hex-2-enyl acetate; trans-Hex-2-enyl acetate; 2-Hexenyl acetate; 2-Hexen-1-yl acetate; hex-2-en-1-yl acetate; hex-2-enyl acetate; (E)-2-Hexen-1-ol acetate
• Information on this page:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
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Normal alkane RI, non-polar column, temperature ramp

Go To: Top, References, Notes

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, non-polar column, temperature ramp, Notes

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

Marques, Wendler, et al., 2007
Marques, F.A.; Wendler, E.P.; Maia, B.E.L.N.S.; Ventura, M.U.; Arruda-Gatti, I.C., Identification of defensive compounds in metathoracic glands of adults of the stink bug Dichelops melacanthus (Hemiptera: Pentatomidae), J. Braz. Chem. Soc., 2007, 18, 6, 1242-1246, https://doi.org/10.1590/S0103-50532007000600020 . [all data]

Holland, Larkov, et al., 2005
Holland, D.; Larkov, O.; Bar-Ya'akov, I.; Bar, E.; Zax, A.; Brandeis, E.; Ravid, U.; Lewinsohn, E., Developmental and varietal differences in volatile ester formation and acetyl-CoA: alcohol acetyl transferase activities in apple (Malus domestica Borkh.) fruit, J. Agric. Food Chem., 2005, 53, 18, 7198-7203, https://doi.org/10.1021/jf050519k . [all data]

Jirovetz, Buchbauer, et al., 2003
Jirovetz, L.; Buchbauer, G.; Shafi, M.P.; Kaniampady, M.M., Chemotaxonomical analysis of the essential oil aroma compounds of four different Ocimumspecies from southern India, Eur. Food Res. Technol., 2003, 217, 2, 120-124, https://doi.org/10.1007/s00217-003-0708-1 . [all data]

Vendramini and Trugo, 2000
Vendramini, A.L.; Trugo, L.C., Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity, Food Chem., 2000, 71, 2, 195-198, https://doi.org/10.1016/S0308-8146(00)00152-7 . [all data]

Gomez and Ledbetter, 1994
Gomez, E.; Ledbetter, C.A., Comparative study of the aromatic profiles of two different plum species: Prunus salicina Lindl and Prunus simonii L., J. Sci. Food Agric., 1994, 65, 1, 111-115, https://doi.org/10.1002/jsfa.2740650116 . [all data]

Engel, Flath, et al., 1988
Engel, K.-H.; Flath, R.A.; Buttery, R.G.; Mon, T.R.; Ramming, D.W.; Teranishi, R., Investigation of volatile constituents in nectarines. 1. Analytical and sensory characterization of aroma components in some nectarine cultivars, J. Agric. Food Chem., 1988, 36, 3, 549-553, https://doi.org/10.1021/jf00081a036 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

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