Butanoic acid, 3-hexenyl ester, (E)-
- 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/b6-5+
- IUPAC Standard InChIKey: ZCHOPXVYTWUHDS-AATRIKPKSA-N
- CAS Registry Number: 53398-84-8
- 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. - Isotopologues:
- Stereoisomers:
- Other names: trans-3-Hexenyl butyrate; 3-Hexenyl butyrate (E); (3E)-3-Hexenyl butyrate; Butanoic acid, (E)-3-hexenyl ester; (E)-3-Hexen-1-ol, butanoate; (E)-3-Hexenyl butanoate; (E)-3-Hexenyl butyrate; E-Hex-3-en-1-yl butyrate; (E)-Hex-3-enyl n-butyrate; (E)-hex-3-enyl butyrate
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Kovats' RI, polar column, temperature ramp
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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
| Column type | Capillary |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | 59. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 70. |
| Tend (C) | 190. |
| Heat rate (K/min) | 1. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1467. |
| Reference | Palma-Fleming and Kepner, 1983 |
| Comment | 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.
Palma-Fleming and Kepner, 1983
Palma-Fleming, H.A.; Kepner, R.E.,
Volatile components of California live oak, Quercus agrifolia,
Phytochemistry, 1983, 22, 6, 1503-1505, https://doi.org/10.1016/S0031-9422(00)84047-9
. [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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