3-Hexenoic acid, ethyl ester, (E)-
- 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: 26553-46-8
- 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:
- Stereoisomers:
- Other names: Ethyl (E)-3-hexenoate; Ethyl trans-3-hexenoate; Ethyl 3-hexenoate, trans; Ethyl (3E)-3-hexenoate; Ethyl (E)-hex-3-enoate; Ethyl trans-hex-3-enoate; Ethyl 3-hexenoate; (E)-Ethyl-3-hexenoate
- Information on this page:
- Other data available:
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Kovats' RI, 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 |
|---|---|---|
| Active phase | Supelcowax-10 | DB-Wax |
| Column length (m) | 60. | 30. |
| Carrier gas | He | N2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | ||
| Tstart (C) | 35. | 60. |
| Tend (C) | 200. | 200. |
| Heat rate (K/min) | 3. | 2. |
| Initial hold (min) | 5. | 10. |
| Final hold (min) | 20. | |
| I | 1304. | 1303. |
| Reference | Wong and Teng, 1994 | Umano, Shoji, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, 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.
Wong and Teng, 1994
Wong, K.C.; Teng, Y.E.,
Volatile Components of Mimusops elengi L. Flowers,
J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425
. [all data]
Umano, Shoji, et al., 1986
Umano, K.; Shoji, A.; Hagi, Y.; Shibamoto, T.,
Volatile constituents of peel of quince fruit, Cydonia oblonga Miller,
J. Agric. Food Chem., 1986, 34, 4, 593-596, https://doi.org/10.1021/jf00070a003
. [all data]
Notes
Go To: Top, Kovats' RI, 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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