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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Normal alkane 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 | DB-1 | DB-5 MS | VF-5 | DB-5 MS | RTX-5 |
Column length (m) | 50. | 25. | 30. | 30. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.20 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | 1. |
Tstart (C) | 60. | 40. | 60. | 40. | 40. |
Tend (C) | 250. | 250. | 300. | 250. | 205. |
Heat rate (K/min) | 8. | 10. | 10. | 4. | 4. |
Initial hold (min) | 1. | 2. | 2. | 5. | |
Final hold (min) | 10. | 2. | 5. | ||
I | 832. | 863. | 861. | 847. | 854. |
Reference | Misharina T., 2011 | Majcher, Lawrowski, et al., 2010 | Li and Zhao, 2009 | Su, Wang, et al., 2009 | Berdague, Tournayre, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DBP-5 | DBP-5 | DB-5 | HP-5 MS | HP-5 |
Column length (m) | 25. | 25. | 60. | 30. | 30. |
Carrier gas | Helium | Helium | He | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.22 | 0.22 | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 60. | 60. | 60. |
Tend (C) | 250. | 250. | 250. | 250. | 250. |
Heat rate (K/min) | 3. | 3. | 4. | 2. | 10. |
Initial hold (min) | 1. | 1. | 5. | 8. | 2. |
Final hold (min) | 10. | 10. | 15. | 10. | |
I | 820. | 820. | 865. | 848. | 854. |
Reference | Heravi and Sereshti, 2007 | Sereshti and Samadi, 2007 | Fadel, Mageed, et al., 2006 | Tigrine-Kordiani, Meklati, et al., 2006 | Wang, Yang, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | 5 % Phenyl methyl siloxane | HP-1 | HP-5 | HP-5 | RSL-200 |
Column length (m) | 0. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 1. | 0.33 | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 60. | 50. | 40. |
Tend (C) | 250. | 260. | 275. | 200. | 280. |
Heat rate (K/min) | 7. | 2. | 4. | 3. | 6. |
Initial hold (min) | 10. | 5. | 5. | ||
Final hold (min) | 5. | 20. | 5. | ||
I | 848. | 866. | 865. | 857. | 823. |
Reference | Ramírez, Estévez, et al., 2004 | Senatore, Napolitano, et al., 2004 | Ghannadi, Sajjadi, et al., 2002 | Isidorov and Jdanova, 2002 | Jirovetz L., Buchbauer G., et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-1 | Cross-Linked Methylsilicone | Ultra-2 | DB-1 |
Column length (m) | 50. | 60. | 25. | 50. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.52 | 0.25 | 0.52 | 1.0 | |
Tstart (C) | 35. | 50. | 35. | 40. | 40. |
Tend (C) | 250. | 250. | 225. | 250. | 250. |
Heat rate (K/min) | 2. | 2.5 | 4. | 4. | 3. |
Initial hold (min) | 15. | 5. | 3. | 3. | |
Final hold (min) | 45. | 30. | 30. | ||
I | 858. | 835. | 826. | 851. | 824. |
Reference | Boylston and Viniyard, 1998 | Stashenko, Puertas, et al., 1996 | Bravo and Hotchkiss, 1993 | King, Hamilton, et al., 1993 | Peppard, 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-1 | OV-101 | SP 2100 |
Column length (m) | 30. | 50. | 40. |
Carrier gas | He | He | Helium |
Substrate | |||
Column diameter (mm) | 0.25 | 0.32 | 0.20 |
Phase thickness (μm) | 1.0 | 0.5 | |
Tstart (C) | 40. | 50. | 40. |
Tend (C) | 250. | 250. | 200. |
Heat rate (K/min) | 3. | 4. | 10. |
Initial hold (min) | |||
Final hold (min) | 30. | ||
I | 824. | 816. | 817. |
Reference | Peppard, 1992 | Misharina, Golovnya, et al., 1991 | Labropoulos, Palmer, et al., 1982 |
Comment | MSDC-RI | 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.
Misharina T., 2011
Misharina T.,
Headspace analysis of aroma compounds using porous adsorbents,
Chemistry Chem. Technol., 2011, 5, 3, 347-354. [all data]
Majcher, Lawrowski, et al., 2010
Majcher, M.; Lawrowski, P.; Jelen, H.,
Comparison of original and adulterated oscypek cheese based on volatile and sensory profiles,
Acta Sci. Pol. Technol. Aliment., 2010, 9, 3, 265-275. [all data]
Li and Zhao, 2009
Li, L.; Zhao, J.,
Determination of the volatile composition of Rhodobryum giganteum (Schwaegr.) Par. (Bryaceae) using solid-phase microextraction and gas chromatography / mass spectrometry (GC/MS),
Molecules, 2009, 14, 6, 2195-2201, https://doi.org/10.3390/molecules14062195
. [all data]
Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G.,
Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices,
Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]
Berdague, Tournayre, et al., 2007
Berdague, J.L.; Tournayre, P.; Cambou, S.,
Novel multi-gas chromatography?olfactometry device and software for the identification of odour-active compounds,
J. Chromatogr. A, 2007, 1146, 1, 85-92, https://doi.org/10.1016/j.chroma.2006.12.102
. [all data]
Heravi and Sereshti, 2007
Heravi, M.J.; Sereshti, H.,
Determination of Essential Oil Components of Artemisia haussknechtii Boiss. using Simultaneous Hydrodistillation-Static Headspace Liquid Phase Microextraction - Gas Chromatography Mass Spectrometry,
J. Chromatogr. A, 2007, 1160, 1-2, 81-89, https://doi.org/10.1016/j.chroma.2007.05.096
. [all data]
Sereshti and Samadi, 2007
Sereshti, H.; Samadi, S.,
Comparison of hydrodistillation-headspace liquid phase microextraction techniques with hydrodistillation in determination of essential oils in Artemisia Haussknechtii Boiss,
JSUT, 2007, 33, 2, 7-17. [all data]
Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Lotfy, S.N.,
Quality and flavour stability of coffee substitute prepared by extrusion of wheat germ and chicory roots,
Amino Acids, 2006, https://doi.org/10.1007/s007260200008
. [all data]
Tigrine-Kordiani, Meklati, et al., 2006
Tigrine-Kordiani, N.; Meklati, B.Y.; Chemat, F.,
Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria,
Int. J. Aromatherapy, 2006, 16, 3-4, 187-191, https://doi.org/10.1016/j.ijat.2006.09.008
. [all data]
Wang, Yang, et al., 2006
Wang, Q.; Yang, Y.; Zhao, X.; Zhu, B.; Nan, P.; Zhao, J.; Wang, L.; Chen, F.; Liu, Z.; Zhong, Y.,
Chemical variation in the essential oil of Ephedra sinica from Northeastern China,
Food Chem., 2006, 98, 1, 52-58, https://doi.org/10.1016/j.foodchem.2005.04.033
. [all data]
Ramírez, Estévez, et al., 2004
Ramírez, M.R.; Estévez, M.; Morcuende, D.; Cava, R.,
Effect of the type of frying culinary fat on volatile compounds isolated in fried pork loin chops by using SPME-GC-MS,
J. Agric. Food Chem., 2004, 52, 25, 7637-7643, https://doi.org/10.1021/jf049207s
. [all data]
Senatore, Napolitano, et al., 2004
Senatore, F.; Napolitano, F.; Mohamed, M.A.-H.; Harris, P.J.C.; MnKeni, P.N.S.; Henderson, J.,
Antibacterial activity of Tagetes minuta L. (Asteraceae) essential oil with different chemical composition,
Flavour Fragr. J., 2004, 19, 6, 574-578, https://doi.org/10.1002/ffj.1358
. [all data]
Ghannadi, Sajjadi, et al., 2002
Ghannadi, A.; Sajjadi, S.E.; Beigihasan, A.,
Composition of the essential oil of Ferula ovina (Boiss.) Boiss. from Iran,
DARU, 2002, 10, 4, 165-167, retrieved from http://www1.tums.ac.ir/daru/Daru4%202002/Ghannadi.PDF. [all data]
Isidorov and Jdanova, 2002
Isidorov, V.; Jdanova, M.,
Volatile organic compounds from leaves litter,
Chemosphere, 2002, 48, 9, 975-979, https://doi.org/10.1016/S0045-6535(02)00074-7
. [all data]
Jirovetz L., Buchbauer G., et al., 2001
Jirovetz L.; Buchbauer G.; Shafi P.M.; Rosamma M.K.; Geissler M.,
Analysis of the composition and aroma of the essential leaf oil of Syzygium travancoricum from South India by GC-FID, GC-MS, and olfactometry. Seasonal changes of composition,
Chromatographia Sup., 2001, 53, S1, s372-s374, https://doi.org/10.1007/BF02490359
. [all data]
Boylston and Viniyard, 1998
Boylston, T.D.; Viniyard, B.T.,
Isolation of volatile flavor compounds from peanut butter using purge-and-trap technique
in Instrumental Methods in Food and Beverage Analysis, D. Wetzel and G. Charalambous, ed(s)., 1998, 225-243. [all data]
Stashenko, Puertas, et al., 1996
Stashenko, E.E.; Puertas, M.A.; Combariza, M.Y.,
Volatile secondary metabolites from Spilanthes americana obtained by simultaneous steam distillation--solvent extraction and supercritical fluid extraction,
J. Chromatogr. A, 1996, 752, 1-2, 223-232, https://doi.org/10.1016/S0021-9673(96)00480-3
. [all data]
Bravo and Hotchkiss, 1993
Bravo, A.; Hotchkiss, J.H.,
Identification of volatile compounds resulting from the thermal oxidation of polyethylene,
J. Appl. Polym. Sci., 1993, 47, 10, 1741-1748, https://doi.org/10.1002/app.1993.070471004
. [all data]
King, Hamilton, et al., 1993
King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction,
J. Agric. Food Chem., 1993, 41, 11, 1974-1981, https://doi.org/10.1021/jf00035a030
. [all data]
Peppard, 1992
Peppard, T.L.,
Volatile flavor constituents of Monstera deliciosa,
J. Agric. Food Chem., 1992, 40, 2, 257-262, https://doi.org/10.1021/jf00014a018
. [all data]
Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V.,
Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae,
Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]
Labropoulos, Palmer, et al., 1982
Labropoulos, A.E.; Palmer, J.K.; Tao, P.,
Flavor evaluation and characterization of yogurt as affected by ultra-high temperature and vat processes,
J. Dairy Sci., 1982, 65, 2, 191-196, https://doi.org/10.3168/jds.S0022-0302(82)82176-0
. [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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