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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Normal alkane 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 | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Carbowax 20M | PEG-20M | PEG-20M | DB-Wax |
| Column length (m) | 60. | 60. | 50. | 50. | 60. |
| Carrier gas | H2 | He | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.15 | 0.15 | 0.25 | |
| Tstart (C) | 40. | 60. | 60. | 60. | 30. |
| Tend (C) | 230. | 180. | 180. | 180. | 180. |
| Heat rate (K/min) | 4. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 4. | 4. | 4. | 2. |
| Final hold (min) | 25. | ||||
| I | 1663. | 1636. | 1639. | 1640. | 1668. |
| Reference | Dregus and Engel, 2003 | Kawakami, Ganguly, et al., 1995 | Togari, Kobayashi, et al., 1995 | Togari, Kobayashi, et al., 1995 | Takeoka, Flath, et al., 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-Wax |
| Column length (m) | 60. |
| Carrier gas | H2 |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 30. |
| Tend (C) | 180. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 2. |
| Final hold (min) | |
| I | 1668. |
| Reference | Takeoka, Flath, et al., 1988 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Dregus and Engel, 2003
Dregus, M.; Engel, K.-H.,
Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks,
J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l
. [all data]
Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A.,
Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma,
J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037
. [all data]
Togari, Kobayashi, et al., 1995
Togari, N.; Kobayashi, A.; Aishima, T.,
Pattern recognition applied to gas chromatographic profiles of volatile components in three tea categories,
Food Res. Int., 1995, 28, 5, 495-502, https://doi.org/10.1016/0963-9969(95)00029-1
. [all data]
Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W.,
Nectarine volatiles: vacuum steam distillation versus headspace sampling,
J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037
. [all data]
Notes
Go To: Top, Normal alkane 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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