3-Hexenoic acid, ethyl ester
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChI: InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+
- IUPAC Standard InChIKey: VTSFIPHRNAESED-AATRIKPKSA-N
- CAS Registry Number: 2396-83-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Stereoisomers:
- Other names: Ethyl 3-hexenoate; Ethyl hex-3-enoate
- Information on this page:
- Other data available:
- Options:
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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-1 | DB-1 | OV-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 183. |
| Carrier gas | He | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.249 | 0.25 | 0.25 | 0.762 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.0 | 1.0 | |
| Tstart (C) | 40. | 60. | 40. | 40. | 0. |
| Tend (C) | 240. | 300. | 250. | 250. | 230. |
| Heat rate (K/min) | 4. | 3. | 3. | 3. | 1. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 30. | 30. | |||
| I | 1003. | 1007. | 986. | 987. | 984. |
| Reference | El-Sayed, Heppelthwaite, et al., 2005 | Woerdenbag, Windono, et al., 2004 | Peppard, 1992 | Peppard, 1992 | Schreyen, Dirinck, et al., 1979 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
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.
El-Sayed, Heppelthwaite, et al., 2005
El-Sayed, A.M.; Heppelthwaite, V.J.; Manning, L.M.; Gibb, A.R.; Suckling, D.M.,
Volatile constituents of fermented sugar baits and their attraction to lepidopteran species,
J. Agric. Food Chem., 2005, 53, 4, 953-958, https://doi.org/10.1021/jf048521j
. [all data]
Woerdenbag, Windono, et al., 2004
Woerdenbag, H.J.; Windono, T.; Bos, R.; Riswan, S.; Quax, W.J.,
Composition of the essential oils of Kaempferia rotunda L. and Kaempferia angustifolia Roscoe rhizomes from Indonesia,
Flavour Fragr. J., 2004, 19, 2, 145-148, https://doi.org/10.1002/ffj.1284
. [all data]
Peppard, 1992
Peppard, T.L.,
Volatile flavor constituents of Monstera deliciosa,
J. Agric. Food Chem., 1992, 40, 2, 257-262, https://doi.org/10.1021/jf00014a018
. [all data]
Schreyen, Dirinck, et al., 1979
Schreyen, L.; Dirinck, P.; Sandra, P.; Schamp, N.,
Flavor analysis of quince,
J. Agric. Food Chem., 1979, 27, 4, 872-876, https://doi.org/10.1021/jf60224a058
. [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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