Butanoic acid,4-hexen-1-yl ester

Formula: C₁₀H₁₈O₂
Molecular weight: 170.2487
IUPAC Standard InChI: InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+
IUPAC Standard InChIKey: IKWWFLZYECOJNB-HWKANZROSA-N
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Species with the same structure:
- (E)-Hex-4-en-1-yl butyrate
Stereoisomers:
- Butanoic acid, 4-hexenyl ester, (Z)-
Other names: 4-Hexen-1-ol, butanoate
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1461.	Miranda, Nogueira, et al., 2001	30. m/0.25 mm/0.25 μm, He; Program: 25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C

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Miranda, Nogueira, et al., 2001
Miranda, E.J.F.; Nogueira, R.I.; Pontes, S.M.; Rezende, C.M., Odour-active compounds of banana passa identified by aroma extract dilution analysis, Flavour Fragr. J., 2001, 16, 4, 281-285, https://doi.org/10.1002/ffj.997 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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