2-Octenal, (E)-
- Formula: C8H14O
- Molecular weight: 126.1962
- IUPAC Standard InChIKey: LVBXEMGDVWVTGY-VOTSOKGWSA-N
- CAS Registry Number: 2548-87-0
- 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. - Isotopologues:
- Stereoisomers:
- Other names: (E)-2-Octen-1-al; (E)-2-Octenal; trans-2-Octenal; trans-2-Octen-1-al; 2-(E)-Octenal; (E)-Oct-2-enal; Oct-2(E)-enal; Oct-(E)-2-enal; trans-Oct-2-enal
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- 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 | Supelco CO Wax-10 | SOLGel-Wax | SOLGel-Wax | DB-Wax | HP Innowax |
Column length (m) | 60. | 30. | 30. | 60. | 50. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.50 | 0.25 |
Program | 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min) | 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) |
I | 1440. | 1432. | 1432. | 1433. | 1466. |
Reference | Prompona, Kandylis, et al., 2012 | Johanningsmeier and McFeeters, 2011 | Johanningsmeier and McFeeters, 2011 | Miyazaki, Plotto, et al., 2011 | Mancini, Arnold, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52 CB | CP-Wax 52 CB | DB-FFAP | HP-FFAP | DB-FFAP |
Column length (m) | 60. | 50. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.29 | 0.25 | 0.25 | 0.25 |
Program | 45 0C (5 min) 3 0C/min -> 150 0C 10 0C/min -> 240 0C | 33 0C (1 min) 2 0C/min -> 130 0C 10 0C/min -> 220 0C | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) | 40C(1min) => 7C/min => 180C => 10C/min => 240C (10min) |
I | 1428. | 1411. | 1423. | 1410. | 1420. |
Reference | Romeo, Verzera, et al., 2009 | Kaack and Christensen, 2008 | Buettner, 2007 | Carrapiso and Garsia, 2007 | Greger and Schieberle, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax FSC | Innowax FSC | Innowax FSC | HP-Innowax FSC | HP-Innowax FSC |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | 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 | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C | 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
I | 1441. | 1441. | 1441. | 1441. | 1441. |
Reference | Baser K.H.C., Ozek G., et al., 2006 | Baser, Özek, et al., 2006 | Baser, Özek, et al., 2006 | Suleimenov Y.M., Atazhanova G.A., et al., 2006 | Tabanca, Demirci, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | HP Innowax FSP | Innowax FSC | DB-Wax Etr |
Column length (m) | 60. | 60. | 30. | ||
Carrier gas | N2 | He | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 1. | ||
Program | not specified | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 35C => 10C/min => 110C => 5C/min => 180C => 10C/min => 220C(15min) |
I | 1407. | 1423. | 1441. | 1441. | 1464. |
Reference | Editorial paper, 2005 | Editorial paper, 2005 | Altintas, Kose, et al., 2004 | Baser, Özek, et al., 2004 | Landy, Nicklaus, 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 | Supelcowax-10 | HP-Innowax FSC | HP-Innowax FSC | HP-Innowax FSC |
Column length (m) | 60. | 60. | 60. | 60. | |
Carrier gas | He | He | N2 | ||
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 | not specified | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1427. | 1421. | 1441. | 1441. | 1441. |
Reference | Vinogradov, 2004 | Baek and Cadwallader, 2003 | Demirci, Baser, et al., 2003 | Erdemoglu, Sener, et al., 2003 | Kaya, Demirci, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax | HP-Innowax FSC | Innowax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 60. | 60. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.5 |
Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min) | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 50C(6min) => 1C/min => 130C => 10C/min => 240C (15min) | 50C(5min) => 1C/min => 80C => 10C/min => 250C |
I | 1441. | 1441. | 1441. | 1434. | 1441. |
Reference | Tunaher, Kirimer, et al., 2003 | Kaya, Demirci, et al., 2001 | Baser, Özek, et al., 2000 | Piveteau, le Guen, 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 | CP-Wax 52CB | FFAP | FFAP | Supelcowax 10 | Supelcowax 10 |
Column length (m) | 50. | 30. | 30. | 60. | 60. |
Carrier gas | He | He | He | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min) | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) | not specified |
I | 1419. | 1433. | 1433. | 1422. | 1427. |
Reference | Jakobsen, Hansen, et al., 1998 | Schermann and Schieberle, 1997 | Schermann and Schieberle, 1997 | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax 10 | CP-Wax 52CB | CP Wax 52 CB | FFAP | CP-Wax 52CB |
Column length (m) | 60. | 50. | 50. | ||
Carrier gas | Helium | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.20 | 1.5 | ||
Program | not specified | 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) | not specified | 40C => 2C/min => 150C => 10C/min => 250C |
I | 1437. | 1416. | 1417. | 1440. | 1418. |
Reference | Castioni and Kapetanidis, 1996 | Luning, Carey, et al., 1995 | Patterson and Stevenson, 1995 | Blank, Stampfli, et al., 1994 | Luning, de Rijk, et al., 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | CP-Wax 52CB | Supelcowax-10 | DB-Wax | DB-Wax |
Column length (m) | 50. | 30. | 30. | 30. |
Carrier gas | He | He | He | |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 1.5 | 0.5 | ||
Program | 40C => 2C/min => 150C => 10C/min => 250C | 35C => 40C/min => 60C(2min) => 4C/min => 240C | 35C => 40C/min => 50C(2min) => 6C/min => 200C | not specified |
I | 1418. | 1409. | 1434. | 1396. |
Reference | Luning, de Rijk, et al., 1994 | Schieberle and Grosch, 1994 | Milo and Grosch, 1993 | Hatsuko, Kazuko, et al., 1992 |
Comment | MSDC-RI | 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.
Prompona, Kandylis, et al., 2012
Prompona, K.-D.; Kandylis, P.; Tsakiris, A.; Kanellaki, M.; Kourkoutas, Y.,
Application of alternative technologies for elimination of artificial colorings in alcoholic beverages produced by Citrus medica and potential impact on human health,
Food Nutrition Sci., 2012, 3, 07, 959-969, https://doi.org/10.4236/fns.2012.37127
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Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F.,
Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS),
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Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
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Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F.,
Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
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Romeo, Verzera, et al., 2009
Romeo, V.; Verzera, A.; Ziino, M.; Condurao, C.; Tripodi, G.,
Headspace volatiles of Vicia sativa L. (Legumnodeae) by solid-phase microextraction and gas chromatography/mass spectrometry,
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Kaack and Christensen, 2008
Kaack, K.; Christensen, L.P.,
Effect of packing materials and storage time on volatile compounds in tea processes from flowers of black elder (Sambucus nigra L.),
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Buettner, 2007
Buettner, A.,
A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples,
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Carrapiso and Garsia, 2007
Carrapiso, A.I.; Garsia, C.,
Effect of sampling conditions on the odour-active compounds of iberian ham,
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Greger and Schieberle, 2007
Greger, V.; Schieberle, P.,
Characterization of the Key Aroma Compounds in Apricots (Prunus armeniaca) by Application of the Molecular Sensory Science Concept,
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Baser K.H.C., Ozek G., et al., 2006
Baser K.H.C.; Ozek G.; Ozek T.; Duran A.,
Composition of the essential oil of Centaurea huber-morathii Wagenitz isolated from seeds by microdistillation,
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Baser, Özek, et al., 2006
Baser, K.H.C.; Özek, G.; Özek, T.; Duran, A.; Duman, H.,
Composition of the essential oils of Rhabdosciadium oligocarpum (Post ex Boiss.) Hedge et Lamond and Rhabdosciadium microcalycinum Hand.-Mazz.,
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Suleimenov Y.M., Atazhanova G.A., et al., 2006
Suleimenov Y.M.; Atazhanova G.A.; Ozek T.; Demirci B.; Kulyyasov A.T.; Adekenov S.M.; Baser K.H.C.,
Essential oil composition of three species of Achillea from Kazakhstan,
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Tabanca, Demirci, et al., 2006
Tabanca, N.; Demirci, B.; Ozek, T.; Kirimer, N.; Can Baser, K.H.; Bedir, E.; Khan, I.A.; Wedge, D.E.,
Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella species gathered from Central and Northern Turkey,
J. Chromatogr. A, 2006, 1117, 2, 194-205, https://doi.org/10.1016/j.chroma.2006.03.075
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Editorial paper, 2005
Editorial paper,
Solid Phase Microextraction (SPME) Application Guide,
The Reporter Europe (Supelco), 2005, 16, 5, 12-12. [all data]
Altintas, Kose, et al., 2004
Altintas, A.; Kose, Y.B.; Yucel, E.; Demirci, B.; Baser, K.H.C.,
Composition of the essential oil of Centaurea dichroa,
Chem. Nat. Compd. (Engl. Transl.), 2004, 40, 6, 604-605, https://doi.org/10.1007/s10600-005-0051-9
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Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F.,
Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey,
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Landy, Nicklaus, et al., 2004
Landy, P.; Nicklaus, S.; Sémon, E.; Mielle, P.; Guichard, E.,
Representativeness of extracts of offset paper packaging and analysis of the main odor-active compounds,
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Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Baek and Cadwallader, 2003
Baek, H.H.; Cadwallader, K.R.,
Gas chromatographic/olfactometric evaluation of flavor extracts produced from crawfish processing by-products, 2003, retrieved from http://nsgl.gso.uri.edu/source/flsgpw95001/flsgpw95001part5.pdf. [all data]
Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z.,
Composition of the essential oils of six endemic Salvia spp. from Turkey,
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Erdemoglu, Sener, et al., 2003
Erdemoglu, N.; Sener, B.; Demirci, B.; Baser, K.H.C.,
The glycosidically bound volatile compounds of Taxus baccata,
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Kaya, Demirci, et al., 2003
Kaya, A.; Demirci, B.; Baser, K.H.C.,
The essential oil of Seseli tortuosum L. growing in Turkey,
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Tunaher, Kirimer, et al., 2003
Tunaher, Z.; Kirimer, N.; Baser, K.H.C.,
Wood essential oils of Juniperus foetidissima Willd.,
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Kaya, Demirci, et al., 2001
Kaya, A.; Demirci, B.; Baser, K.H.C.,
The composition of the essential oil of Stachys iberica subsp. stenostachya growing in Turkey,
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Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H.,
Composition of the essential oil of Prangos heyniae H. Duman et M. F. Watson, a new endemic from Turkey,
Flavour Fragr. J., 2000, 15, 1, 47-49, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<47::AID-FFJ869>3.0.CO;2-9
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Piveteau, le Guen, et al., 2000
Piveteau, F.; le Guen, S.; Gandemer, G.; Baud, J.-P.; Demaimay, M.,
Aroma of fresh oysters Crassostrea gigas: composition and aroma notes,
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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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Schermann and Schieberle, 1997
Schermann, P.; Schieberle, P.,
Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses,
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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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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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Blank, Stampfli, et al., 1994
Blank, I.; Stampfli, A.; Eisenreich, W.,
Analysis of food flavourings by gas chromatography - olfactometry
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Luning, de Rijk, et al., 1994
Luning, P.A.; de Rijk, T.; Wichers, H.J.; Roozen, J.P.,
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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Schieberle and Grosch, 1994
Schieberle, P.; Grosch, W.,
Potent odorants of rye bread crust - differences from the crumb and from wheat bread crust,
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Milo and Grosch, 1993
Milo, C.; Grosch, W.,
Changes in the odorants of boiled trout (Salmo fario) as affected by the storage of the raw material,
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Hatsuko, Kazuko, et al., 1992
Hatsuko, S.; Kazuko, H.; Masayoshi, K.; Yoshiaki, I.,
Improvement of quality of likorine extract by heat treatment,
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. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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