2-Hexenal
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChI: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3
- IUPAC Standard InChIKey: MBDOYVRWFFCFHM-UHFFFAOYSA-N
- CAS Registry Number: 505-57-7
- 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. - Stereoisomers:
- Other names: 2-Hexen-1-al; n-C3H7CH=CHCHO; Hex-2-enal; Hex-2-en-1-al; Hexylenic aldehyde; Leaf aldehyde
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Van Den Dool and Kratz RI, non-polar column, custom temperature program
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 | HP-5MS | DB-5MS | HP-5 | DB-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 50C(4min) => 10C/min => 200C(0.5min) => 20C/min => 260C(5min) | 35C => 120C/min => 60C1.5C/min => 100C => 5C/min => 280C | 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min) | -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C | -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C |
| I | 853. | 854. | 856. | 843. | 839. |
| Reference | Pérez, Navarro, et al., 2007 | Turchini, Giani, et al., 2004 | Engel, Baty, et al., 2002 | Eri, Khoo, et al., 2000 | Eri, Khoo, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-5 | DB-5 | SE-54 |
| Column length (m) | 50. | 25. | 25. |
| Carrier gas | He | He | H2 |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.31 |
| Phase thickness (μm) | 0.5 | 0.25 | |
| Program | oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C | 60C => 3C/min => 106C => 6C/min => 280C | not specified |
| I | 865. | 850. | 852. |
| Reference | Parker, Hassell, et al., 2000 | Afsharypuor, Jeiran, et al., 1998 | Li, Wang, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pérez, Navarro, et al., 2007
Pérez, R.A.; Navarro, T.; de Lorenzo, C.,
HS-SPME analysis of the volatile compounds from spices as a source of flavour in 'Campo Real' table olive preparations,
Flavour Fragr. J., 2007, 22, 4, 265-273, https://doi.org/10.1002/ffj.1791
. [all data]
Turchini, Giani, et al., 2004
Turchini, G.M.; Giani, I.; Caprino, F.; Moretti, V.M.; Valfrè, F.,
Discrimination of origin of farmed trout by means of biometrical parameters, fillet composition and flavor volatile compounds,
Ital. J. Anim. Sci., 2004, 3, 123-140. [all data]
Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N.,
Flavor-active compounds potentially implicated in cooked cauliflower acceptance,
J. Agric. Food Chem., 2002, 50, 22, 6459-6467, https://doi.org/10.1021/jf025579u
. [all data]
Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G.,
Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization,
J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850
. [all data]
Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E.,
Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours,
J. Agric. Food Chem., 2000, 48, 8, 3497-3506, https://doi.org/10.1021/jf991302r
. [all data]
Afsharypuor, Jeiran, et al., 1998
Afsharypuor, S.; Jeiran, K.; Jazy, A.A.,
First investigation of the flavour profiles of the leaf, ripe fruit and root of Capparis spinosa var. mucronifolia from Iran,
Pharm. Acta Helv., 1998, 72, 5, 307-309, https://doi.org/10.1016/S0031-6865(97)00023-X
. [all data]
Li, Wang, et al., 1998
Li, W.; Wang, H.; Sun, Y.; Huang, A.; Sun, Y.,
Capillary gas chromatographic analysis of volatile components in goat feces,
Fenxi Huaxue, 1998, 26, 8, 935-939. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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