2-Hexenal
- Formula: C6H10O
- Molecular weight: 98.1430
- 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, 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 | HP-5 | HP-5 | DB-1 | DB-5 | SPB-5 |
Column length (m) | 30. | 30. | 25. | 25. | 30. |
Carrier gas | He | He | N2 | 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 |
Tstart (C) | 60. | 50. | 60. | 75. | 60. |
Tend (C) | 250. | 260. | 180. | 210. | 250. |
Heat rate (K/min) | 10. | 10. | 3. | 3. | 4. |
Initial hold (min) | 2. | 3. | 10. | 10. | 2. |
Final hold (min) | 10. | 10. | 1. | 20. | |
I | 854. | 850. | 860. | 860. | 848. |
Reference | Zhao J.Y., Liu J.M., et al., 2006 | Zhao, Wang X.Y., et al., 2006 | bin Jantan, Yalvema, et al., 2005 | bin Jantan, Yalvema, et al., 2005, 2 | Pino, Marbot, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | CP-Sil 8CB-MS | HP-1 | HP-5 | DB-1 |
Column length (m) | 30. | 60. | 60. | 50. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1. |
Tstart (C) | 60. | 40. | 50. | 50. | -50. |
Tend (C) | 250. | 280. | 250. | 250. | 175. |
Heat rate (K/min) | 4. | 4. | 2.5 | 2.5 | 6. |
Initial hold (min) | 2. | 2. | 5. | 5. | 2. |
Final hold (min) | 20. | ||||
I | 841. | 862. | 838. | 854. | 828.7 |
Reference | Pino, Marbot, et al., 2002 | Bruna, Hierro, et al., 2001 | Guilliard, Delgado, et al., 2001 | Guilliard, Delgado, et al., 2001 | Helmig, Klinger, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | SE-54 | Methyl Silicone | HP-1 | DB-5 | Apiezon M |
Column length (m) | 25. | 25. | 50. | 0.32 | 1.5 |
Carrier gas | H2 | He | He | H2 | N2 |
Substrate | Celite 545 | ||||
Column diameter (mm) | 0.31 | 0.2 | 0.32 | 1. | |
Phase thickness (μm) | 0.3 | 1.05 | |||
Tstart (C) | 35. | 40. | 40. | 30. | 75. |
Tend (C) | 250. | 200. | 260. | 180. | 200. |
Heat rate (K/min) | 4. | 2. | 2. | 1.5 | 6. |
Initial hold (min) | 3. | 5. | |||
Final hold (min) | |||||
I | 851. | 826. | 839. | 832. | 823. |
Reference | Li, Wang, et al., 1998 | Píry, Príbela, et al., 1995 | Kuo and Ho, 1992 | Guichard and Souty, 1988 | Golovnya and Uraletz, 1971 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed |
---|---|---|
Active phase | Apiezon M | Apiezon M |
Column length (m) | 1.5 | 1.5 |
Carrier gas | N2 | N2 |
Substrate | Celite 545 | Celite 545 |
Column diameter (mm) | ||
Phase thickness (μm) | ||
Tstart (C) | 75. | 75. |
Tend (C) | 200. | 200. |
Heat rate (K/min) | 6. | 6. |
Initial hold (min) | ||
Final hold (min) | ||
I | 825. | 833. |
Reference | Golovnya and Uraletz, 1971 | Golovnya and Uraletz, 1971 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Zhao J.Y., Liu J.M., et al., 2006
Zhao J.Y.; Liu J.M.; Zhang X.Y.; Liu Z.J.; Tsering T.; Zhong Y.; Nan P.,
Chemical composition of the volatiles of three wild Bergenia species from western China,
Flavour Fragr. J., 2006, 21, 3, 431-434, https://doi.org/10.1002/ffj.1689
. [all data]
Zhao, Wang X.Y., et al., 2006
Zhao, Y.P.; Wang X.Y.; Wang, Z.C.; Lu Y.; Fu, C.X.; Chen, S.Y.,
Essential oil of Actinidia macrosperma, a catnip response kiwi endemic to China,
Journal of Zhejiang University SCIENCE B, 2006, 7, 9, 708-712, https://doi.org/10.1631/jzus.2006.B0708
. [all data]
bin Jantan, Yalvema, et al., 2005
bin Jantan, I.; Yalvema, M.F.; Ahmad, N.W.; Jamal, J.A.,
Insecticidal activities of the leaf oils of eight Cinnamomum species against Aedes aegypti and Aedes albopictus,
Pharm. Biol., 2005, 43, 6, 526-532, https://doi.org/10.1080/13880200500220771
. [all data]
bin Jantan, Yalvema, et al., 2005, 2
bin Jantan, I.; Yalvema, M.F.; Ayop, N.; Ahmad, A.S.,
Constituents of the essential oils of Cinnamomum sintoc Blume from a mountain forest of Peninsular Malaysia,
Flavour Fragr. J., 2005, 20, 6, 601-604, https://doi.org/10.1002/ffj.1495
. [all data]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [all data]
Bruna, Hierro, et al., 2001
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A.,
The contribution of Penicillium aurantiogriseum to the volatile composition and sensory quality of dry fermented sausages,
Meat Sci., 2001, 59, 1, 97-107, https://doi.org/10.1016/S0309-1740(01)00058-4
. [all data]
Guilliard, Delgado, et al., 2001
Guilliard, M.; Delgado, W.; Martínez, J.R.; Stashenko, E.,
Determination of the enantiomeric purity of carvone, main component of Colombian Lippia alba (Mill) oil by means of bidimensional gas chromatography (23rd International Symposium on Capillary Chromatography), 2001, retrieved from http://www.richrom.com/assets/CD23PDF/i01.pdf. [all data]
Helmig, Klinger, et al., 1999
Helmig, D.; Klinger, L.F.; Guenther, A.; Vierling, L.; Geron, C.; Zimmerman, P.,
Biogenic volatile organic compound emissions (BVOCs). I. Identifications from three continental sites in the U.S.,
Chemosphere, 1999, 38, 9, 2163-2187, https://doi.org/10.1016/S0045-6535(98)00425-1
. [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]
Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P.,
Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods,
Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7
. [all data]
Kuo and Ho, 1992
Kuo, M.-C.; Ho, C.-T.,
Volatile constituents of the solvent extracts of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (A. fistulosum L. variety caepitosum),
J. Agric. Food Chem., 1992, 40, 10, 1906-1910, https://doi.org/10.1021/jf00022a036
. [all data]
Guichard and Souty, 1988
Guichard, E.; Souty, M.,
Comparison of the relative quantities of aroma compounds found in fresh apricot (Prunus armeniaca) from six different varieties,
Z. Lebensm. Unters. Forsch., 1988, 186, 4, 301-307, https://doi.org/10.1007/BF01027031
. [all data]
Golovnya and Uraletz, 1971
Golovnya, V.; Uraletz, V.P.,
Gas chromatographic analysis of flavour components with correlation isothermal retention indices,
J. Chromatogr., 1971, 61, 65-71, https://doi.org/10.1016/S0021-9673(00)92384-7
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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