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:
Normal alkane RI, 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 | DB-Wax | DB-Wax | Innowax | DB-Wax | Supelko CO Wax |
Column length (m) | 60. | 60. | 60. | 30. | 60. |
Carrier gas | Helium | Helium | Hydrogen | Helium | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.50 | 0.33 | 0.25 | 0.25 |
Program | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | not specified | 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min) | 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min) |
I | 1214. | 1233. | 1209. | 1209. | 1229. |
Reference | Gyawali and Kim, 2012 | Miyazaki, Plotto, et al., 2011 | Noorizadeh, Farmany, et al., 2011 | Sampaio, Garruti, et al., 2011 | Vekiari, Orepoulou, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelko CO Wax | Innowax FSC | DB-Wax | DB-Wax | CP-Wax 52 CB |
Column length (m) | 60. | 60. | 30. | 30. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | not specified | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C | 40 0C (4 min) 2.5 0C/min -> 80 0C 5 0C/min -> 110 0C 10 0C/min -> 220 0C (5 min) | not specified | 45 0C (5 min) 3 0C/min -> 150 0C 10 0C/min -> 240 0C |
I | 1228. | 1232. | 1218. | 1212. | 1224. |
Reference | Vekiari, Orepoulou, et al., 2010 | Baser, Demirci, et al., 2009 | Canuti, Conversano, et al., 2009 | Canuti, Conversano, et al., 2009 | Romeo, Verzera, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-FFAP | Supelcowax-10 | HP-Innowax | Carbowax 20M |
Column length (m) | 30. | 30. | 30. | 60. | 50. |
Carrier gas | Helium | He | Nitrogen | H2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.25 | 0.5 |
Program | 40 0C 7 0C/min -> 110 0C 15 0C/min -> 250 0C (3 min) | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) | 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min) | 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C | 25C(7min) => 0.8C/min => 33C => 2.4C/min => 80C => 3.7C/min => 155C (20min) |
I | 1227. | 1224. | 1228. | 1218. | 1213. |
Reference | Valappil, Fan, et al., 2009 | Carrapiso and Garsia, 2007 | Vichi, Guadayol, et al., 2007 | Quijano and Pino, 2006 | Dhifi, Angerosa, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP Innowax FSP | DB-Wax | DB-Wax | DB-Wax | BP-21 |
Column length (m) | 60. | 60. | 60. | 30. | 50. |
Carrier gas | N2 | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | |
Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C | 40C => 1C/min => 57C => 15C/min => 230C (5min) | 50C => 2.5C/min => 180C(2min) => 1C/min => 200C(10min) |
I | 1232. | 1214. | 1211. | 1224. | 1207. |
Reference | Altintas, Kose, et al., 2004 | Buttery and Takeoka, 2004 | Kim. J.H., Ahn, et al., 2004 | le Pape, Grua-Priol, et al., 2004 | Salinas, Zalacain, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | HP-Innowax FSC | HP-Innowax FSC | PEG-20M | Innowax FSC |
Column length (m) | 60. | 60. | 30. | 60. | |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 50C(8min) => 4C/min => 110C => 16C/min => 200C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1207. | 1232. | 1232. | 1214. | 1232. |
Reference | Vinogradov, 2004 | Demirci, Baser, et al., 2003 | Demirci, Demirci, et al., 2003 | Garruti, Franco, et al., 2003 | Tunalier, Kirimer, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | HP-Innowax FSC | Innowax FSC | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
Program | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | 50C(6min) => 1C/min => 130C => 10C/min => 240C (15min) |
I | 1232. | 1232. | 1232. | 1210. | 1228. |
Reference | Gören, Demirci, et al., 2001 | Tabanca, Kirimer, et al., 2001 | Kirimer, Tabanca, et al., 2000 | Paniandy, Chane-Ming, et al., 2000 | Piveteau, le Guen, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax FSC | Supelcowax-10 | CP-Wax 52CB | FFAP | DB-Wax |
Column length (m) | 60. | 60. | 50. | 25. | 60. |
Carrier gas | Helium | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.53 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.2 | 0.3 | |
Program | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C | 40C (2min) => 16C/min => 120C => 15C/min => 240C(3min) | 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min) | 35C (2min) => 40C/min => 60C(1min) => 6C/min => 230C | 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C(40min) |
I | 1232. | 1246. | 1216. | 1215. | 1223. |
Reference | Kirimer, Tabanca, et al., 1999 | Forney and Jordan, 1998 | Jakobsen, Hansen, et al., 1998 | Reiners and Grosch, 1998 | Ziegleder, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | Supelcowax 10 | Supelcowax 10 | Supelcowax 10 | CP-Wax 52 CB |
Column length (m) | 25. | 60. | 60. | 60. | 30. |
Carrier gas | H2 | Helium | Helium | Helium | H2 |
Substrate | |||||
Column diameter (mm) | 0.3 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 1.2 | 0.25 | 0.25 | 0.25 | |
Program | 60C(3min) => 2C/min => 220C => 3C/min => 245C | 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) | not specified | not specified | 60 0C 2 0C/min -> 220 0C 3 0C/min -> 245 0C |
I | 1243. | 1213. | 1218. | 1225. | 1243. |
Reference | López-Tamames, Carro-Mariño, et al., 1997 | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 | Carro Marino, López Tamames, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | CP Wax 52 CB | CP-Wax 52CB | CP-Wax 52CB | Supelcowax-10 |
Column length (m) | 50. | 50. | 50. | 30. | |
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.20 | 1.5 | 1.5 | ||
Program | 40C => 2C/min => 150C => 10C/min => 250C | 50 0C (10 min) 2 0C/min -> 100 0C 5 0C/min -> 150 0C 7 0C/min -> 220 0C (20 min) | 40C => 2C/min => 150C => 10C/min => 250C | 40C => 2C/min => 150C => 10C/min => 250C | not specified |
I | 1210. | 1208. | 1212. | 1212. | 1215. |
Reference | Luning, Carey, et al., 1995 | Patterson and Stevenson, 1995 | Luning, de Rijk, et al., 1994 | Luning, de Rijk, et al., 1994 | Jean, Garneau, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 60. |
Carrier gas | He | ||
Substrate | |||
Column diameter (mm) | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | ||
Program | 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) | not specified | not specified |
I | 1216. | 1215. | 1215. |
Reference | Mattheis, Buchanan, et al., 1992 | Binder, Flath, et al., 1989 | Binder and Flath, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S.,
Bioactive volatile compounds of three medicinal plants from Nepal,
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Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration,
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Some unusual minor volatile components of tomato,
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Composition of the essential oils of Tanacetum spp. from Turkey,
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Piveteau, le Guen, et al., 2000
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Forney, C.F.; Jordan, M.A.,
Induction of volatile compounds in broccoli by postharvest hot-water dips,
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Jakobsen, Hansen, et al., 1998
Jakobsen, H.B.; Hansen, M.; Christensen, M.R.; Brockhoff, P.B.; Olsen, C.E.,
Aroma volatiles of blanched green peas (Pisum sativum L.),
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Reiners and Grosch, 1998
Reiners, J.; Grosch, W.,
Odorants of virgin olive oils with different flavor profiles,
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Ziegleder, 1998
Ziegleder, G.,
Volatile and odorous compounds in unprinted paperboard,
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Potential aroma in several varieties of Spanish grapes,
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Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I.,
Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS,
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Carro Marino, López Tamames, et al., 1995
Carro Marino, N.; López Tamames, E.; García Jares, C.M.,
Contribution to the study of the aromatic potential of three muscat Vitis vinifera varieties: identification of new compounds,
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Luning, Carey, et al., 1995
Luning, P.A.; Carey, A.T.; Roozen, J.P.; Wichers, H.J.,
Characterization and occurrence of lipoxygenase in bell peppers at different ripening stages in relation to the formation of volatile flavor compounds,
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Patterson and Stevenson, 1995
Patterson, R.L.S.; Stevenson, M.H.,
Irradiation-induced off-odor in chicken and its possible control,
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Luning, de Rijk, et al., 1994
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Gas chromatography, mass spectrometry, and sniffing port analyses of volatile compounds of fresh bell peppers (Capsicum annuum) at different ripening stages,
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. [all data]
Jean, Garneau, et al., 1993
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. [all data]
Mattheis, Buchanan, et al., 1992
Mattheis, J.P.; Buchanan, D.A.; Fellman, J.K.,
Volatile compounds emitted by sweet cherries (Prunus avium Cv. Bing) during fruit development and ripening,
J. Agric. Food Chem., 1992, 40, 3, 471-474, https://doi.org/10.1021/jf00015a022
. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
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Binder and Flath, 1989
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Volatile components of pineapple guava,
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. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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