Hexanoic acid, 2-hexenyl ester, (E)-
- Formula: C12H22O2
- Molecular weight: 198.3019
- IUPAC Standard InChI: InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
- IUPAC Standard InChIKey: UQPLEMTXCSYMEK-VQHVLOKHSA-N
- CAS Registry Number: 53398-86-0
- Chemical structure:
This structure is also available as a 2d Mol file - Isotopologues:
- Stereoisomers:
- Other names: trans-2-Hexenyl caproate; trans-2-Hexenyl hexanoate; trans-2-Hexenyl n-hexanoate; (2E)-2-Hexenyl hexanoate; (E)-2-Hexenyl hexanoate; (E)-2-Hexenyl n-hexanoate; (E)hex-2-enyl hexanoate
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- Other data available:
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Normal alkane RI, non-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 | Capillary |
|---|---|---|
| Active phase | DB-5 | HP-5 MS |
| Column length (m) | 30. | 30. |
| Carrier gas | Nitrogen | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 40. | 50. |
| Tend (C) | 230. | 230. |
| Heat rate (K/min) | 2. | 4. |
| Initial hold (min) | 4. | |
| Final hold (min) | 10. | |
| I | 1368. | 1391. |
| Reference | Scrivanti, Anton, et al., 2009 | Forero, Quijano, et al., 2008 |
| Comment | 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.
Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A.,
Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy,
Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009
. [all data]
Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A.,
Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages,
Flavour Fragr. J., 2008, 24, 1, 25-30, https://doi.org/10.1002/ffj.1913
. [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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