2-Hexenal, (E)-
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChIKey: MBDOYVRWFFCFHM-SNAWJCMRSA-N
- CAS Registry Number: 6728-26-3
- 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. - Species with the same structure:
- Isotopologues:
- Stereoisomers:
- Other names: (E)-2-Hexenal; n-Hex-trans-2-enal; trans-Hex-2-enal; trans-2-Hexen-1-al; trans-2-Hexenal; Leaf aldehyde; 2-trans-Hexenal; (2E)-2-Hexenal; 2-(E)-Hexenal; (E)-2-Hexanal; (E)-2-Hexen-1-al; (E)-Hex-2-en-1-al; (E)-Hex-2-enal; Hex-2(E)-enal; Hex-trans-2-enal; t-2-Hexenal; 2-Hexenal, (2E)-
- Information on this page:
- Other data available:
- Options:
Kovats' 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-5MS | CP Sil 8 CB | CP Sil 8 CB | DB-5 | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | H2 | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.26 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 50. | 50. | 60. | 50. |
Tend (C) | 280. | 220. | 220. | 246. | 250. |
Heat rate (K/min) | 2. | 3. | 3. | 3. | 3. |
Initial hold (min) | 8. | 2. | 2. | 10. | |
Final hold (min) | 30. | 5. | |||
I | 850. | 865. | 865. | 855. | 855. |
Reference | Hazzit, Baaliouamer, et al., 2006 | Tayoub, Schwob, et al., 2006 | Tayoub, Schwob, et al., 2006, 2 | Adams, Morris, et al., 2005 | Asuming, Beauchamp, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | HP-5MS | SE-54 | DB-5 |
Column length (m) | 30. | 50. | 30. | 30. | 30. |
Carrier gas | Helium | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.26 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 95. | 50. | 60. | 60. |
Tend (C) | 255. | 240. | 250. | 246. | 240. |
Heat rate (K/min) | 3. | 4. | 3. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 853. | 845. | 854. | 854. | 854. |
Reference | Medina, Lucero, et al., 2005 | Velasco-Negueruela, Sanz, et al., 2004 | Salido, Altarejos, et al., 2002 | Adams, 2000 | Adams, 2000, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | HP-5MS | DB-5 | OV-101 | DB-1 |
Column length (m) | 30. | 30. | 30. | 50. | 60. |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Tstart (C) | 60. | 70. | 60. | 80. | 30. |
Tend (C) | 280. | 250. | 240. | 200. | 220. |
Heat rate (K/min) | 3. | 3. | 3. | 2. | 2. |
Initial hold (min) | 5. | 4. | |||
Final hold (min) | 60. | ||||
I | 854. | 854. | 854. | 827. | 822. |
Reference | Roussis, Tsoukatou, et al., 2000 | Siani, Ramos, et al., 1999 | Tellez, Estell, et al., 1997 | Padrayuttawat, Tamura, et al., 1996 | Takeoka, Perrino, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | OV-101 | DB-1 | DB-1 | DB-1 |
Column length (m) | 60. | 25. | 60. | 60. | 60. |
Carrier gas | N2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 30. | 50. | 30. | 30. | 30. |
Tend (C) | 220. | 200. | 210. | 210. | 210. |
Heat rate (K/min) | 2. | 5. | 2. | 2. | 2. |
Initial hold (min) | 4. | 4. | 4. | 4. | |
Final hold (min) | |||||
I | 831. | 833. | 827. | 829. | 827. |
Reference | Takeoka, Perrino, et al., 1996 | Menut, Molangui, et al., 1995 | Takeoka, Buttery, et al., 1992 | Takeoka, Buttery, et al., 1992 | Takeoka, Flath, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | SE-54 | SF96+Igepal | OV-101 | OV-101 |
Column length (m) | 60. | 30. | 127. | 70. | 70. |
Carrier gas | He | He | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.75 | 0.28 | 0.28 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 30. | 0. | 70. | 80. | 80. |
Tend (C) | 210. | 250. | 190. | 200. | 200. |
Heat rate (K/min) | 2. | 12. | 1. | 2. | 2. |
Initial hold (min) | 4. | 12. | |||
Final hold (min) | |||||
I | 831. | 849. | 842. | 830. | 832. |
Reference | Takeoka, Flath, et al., 1990 | Rembold, Wallner, et al., 1989 | Palma-Fleming and Kepner, 1983 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1981 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-101 | OV-101 |
Column length (m) | 70. | 70. |
Carrier gas | N2 | N2 |
Substrate | ||
Column diameter (mm) | 0.28 | 0.28 |
Phase thickness (μm) | ||
Tstart (C) | 80. | 80. |
Tend (C) | 200. | 200. |
Heat rate (K/min) | 2. | 2. |
Initial hold (min) | ||
Final hold (min) | ||
I | 829. | 832. |
Reference | Yamaguchi and Shibamoto, 1979 | Yamaguchi and Shibamoto, 1979 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G.,
Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities,
J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104
. [all data]
Tayoub, Schwob, et al., 2006
Tayoub, G.; Schwob, I.; Bessiere, J.-M.; Masotti, V.; Rabier, J.; Ruzzier, M.; Viano, J.,
Composition of volatile oils of Styrax (Styrax officinalis L.) leaves at different phenological stages,
Biochem. Syst. Ecol., 2006, 34, 9, 705-709, https://doi.org/10.1016/j.bse.2006.05.008
. [all data]
Tayoub, Schwob, et al., 2006, 2
Tayoub, G.; Schwob, I.; Bessière, J.-M.; Rabier, J.; Masotti, V.; J.; M.; Girard, G.; Viano, J.,
Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France,
Flavour Fragr. J., 2006, 21, 5, 809-812, https://doi.org/10.1002/ffj.1731
. [all data]
Adams, Morris, et al., 2005
Adams, R.P.; Morris, J.A.; Pandey, R.N.; Schwarzbach, A.E.,
Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean,
Biochem. Syst. Ecol., 2005, 33, 8, 771-787, https://doi.org/10.1016/j.bse.2005.01.001
. [all data]
Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W.,
Essential oil composition of four Lomatium Raf. species and their chemotaxonomy,
Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005
. [all data]
Medina, Lucero, et al., 2005
Medina, A.L.; Lucero, M.E.; Holguin, F.O.; Estell, R.E.; Posakony, J.J.; Simon, J.; O'Connell, M.A.,
Composition and antimicrobial activity of Anemopsis californica leaf oil,
J. Agric. Food Chem., 2005, 53, 22, 8694-8698, https://doi.org/10.1021/jf0511244
. [all data]
Velasco-Negueruela, Sanz, et al., 2004
Velasco-Negueruela, A.; Sanz, J.; Pérez-Alonso, M.J.; Palá-Paúl, J.,
The volatile components of the aerial parts of Melittis melissophyllum L. subsp. melissophyllum gathered in Spain,
Botanica Complutensis, 2004, 28, 133-136. [all data]
Salido, Altarejos, et al., 2002
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Pannecouque, C.; Witvrouw, M.; De Clercq, E.,
Chemical studies of essential oils of Juniperus oxycedrus ssp. badia,
J. Ethnopharmacol., 2002, 81, 1, 129-134, https://doi.org/10.1016/S0378-8741(02)00045-4
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2
. [all data]
Adams, 2000, 2
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7
. [all data]
Roussis, Tsoukatou, et al., 2000
Roussis, V.; Tsoukatou, M.; Petrakis, P.V.; Chinou, I.; Skoula, M.; Harborne, J.B.,
Volatile constituents of four Helichrysum species growing in Greece,
Biochem. Syst. Ecol., 2000, 28, 2, 163-175, https://doi.org/10.1016/S0305-1978(99)00046-0
. [all data]
Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O.,
Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium,
J. Ethnopharmacol., 1999, 66, 1, 57-69, https://doi.org/10.1016/S0378-8741(98)00148-2
. [all data]
Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Fredrickson, E.L.; Havstad, K.M.,
Essential oil of Dyssodia acerosa DC.,
J. Agric. Food Chem., 1997, 45, 8, 3276-3278, https://doi.org/10.1021/jf9701502
. [all data]
Padrayuttawat, Tamura, et al., 1996
Padrayuttawat, A.; Tamura, H.; Yamao, M.,
A split injection system for the analysis of purge and trap headspace of the volatile components in Citrus sudachi,
J. Hi. Res. Chromatogr., 1996, 19, 6, 365-369, https://doi.org/10.1002/jhrc.1240190613
. [all data]
Takeoka, Perrino, et al., 1996
Takeoka, G.; Perrino, C., Jr.; Buttery, R.,
Volatile constituents of used frying oils,
J. Agric. Food Chem., 1996, 44, 3, 654-660, https://doi.org/10.1021/jf950430m
. [all data]
Menut, Molangui, et al., 1995
Menut, C.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B. Menut.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B.,
Aromatic plants of tropical Central Africa. 23. Chemical composition of leaf essential oils of Eucalyptus goniocalyx F. Muell. and Eucalyptus patens Benth. grown in Rwanda,
J. Agric. Food Chem., 1995, 43, 5, 1267-1271, https://doi.org/10.1021/jf00053a026
. [all data]
Takeoka, Buttery, et al., 1992
Takeoka, G.R.; Buttery, R.G.; Flath, R.A.,
Volatile constituents of Asian pear (Pyrus serotina),
J. Agric. Food Chem., 1992, 40, 10, 1925-1929, https://doi.org/10.1021/jf00022a040
. [all data]
Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M.,
Volatile Constituents of Apricot (Prunus armeniaca),
J. Agric. Food Chem., 1990, 38, 2, 471-477, https://doi.org/10.1021/jf00092a031
. [all data]
Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F.,
Volatile components of chickpea (Cicer arietinum L.) seed,
J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018
. [all data]
Palma-Fleming and Kepner, 1983
Palma-Fleming, H.A.; Kepner, R.E.,
Volatile components of California live oak, Quercus agrifolia,
Phytochemistry, 1983, 22, 6, 1503-1505, https://doi.org/10.1016/S0031-9422(00)84047-9
. [all data]
Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita),
J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035
. [all data]
Yamaguchi and Shibamoto, 1979
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of Castanopsis flower,
J. Agric. Food Chem., 1979, 27, 4, 847-850, https://doi.org/10.1021/jf60224a025
. [all data]
Notes
Go To: Top, Kovats' 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.