2-Hexen-1-ol, acetate
- 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+
- IUPAC Standard InChIKey: HRHOWZHRCRZVCU-AATRIKPKSA-N
- CAS Registry Number: 10094-40-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Isotopologues:
- Stereoisomers:
- Other names: 2-Hexenol acetate; 2-Hexenyl acetate; hex-2-enyl acetate
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 150832 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-5 | 1025. | Dötterl, Wolfe, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 7. min, 6. K/min, 250. C @ 1. min |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-21 | 1352. | Salinas, Zalacain, et al., 2004 | 50. m/0.22 mm/0.25 μm, He; Program: 50C => 2.5C/min => 180C(2min) => 1C/min => 200C(10min) |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dötterl, Wolfe, et al., 2005
Dötterl, S.; Wolfe, L.M.; Jürgens, A.,
Qualitative and quantitative analyses of flower scent in Silene latifolia,
Phytochemistry, 2005, 66, 2, 203-213, https://doi.org/10.1016/j.phytochem.2004.12.002
. [all data]
Salinas, Zalacain, et al., 2004
Salinas, M.; Zalacain, A.; Pardo, F.; Alonso, G.L.,
Stir bar sorptive extraction applied to volatile constituents evolution during Vitis vinifera ripening,
J. Agric. Food Chem., 2004, 52, 15, 4821-4827, https://doi.org/10.1021/jf040040c
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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