3-Hexen-1-ol, butanoate
- 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
- IUPAC Standard InChIKey: ZCHOPXVYTWUHDS-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 3-hexenyl butanoate; butanoic acid, 3-hexenyl ester; Hex-3-enyl butyrate; hex-3-en-1-yl butanoate; 3-Hexenyl butyrate; hex-3-enyl butanoate
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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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1175. | Bartley, 1988 | He, 2. K/min; Column length: 50. m; Tstart: -100. C; Tend: 200. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1186. | Simic, Sokovic, et al., 2004 | 25. m/0.32 mm/0.52 μm, H2, 4. K/min; Tstart: 40. C; Tend: 240. C |
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.
Bartley, 1988
Bartley, J.P.,
Volatile flavours of Australian tropical fruits,
Biomed. Environ. Mass Spectrom., 1988, 16, 1-12, 201-205, https://doi.org/10.1002/bms.1200160136
. [all data]
Simic, Sokovic, et al., 2004
Simic, A.; Sokovic, M.D.; Ristic, M.; Grujic-Jovanovic, S.; Vukojevic, J.; Marin, P.D.,
The chemical composition of some Lauraceae essential oils and their antifungal activities,
Phytother. Res., 2004, 18, 9, 713-717, https://doi.org/10.1002/ptr.1516
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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