2-Octenal, (E)-
- Formula: C8H14O
- Molecular weight: 126.1962
- IUPAC Standard InChI: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
- 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, 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 | AT-Wax | DB-Wax | TC-Wax | CP Wax 52 CB | DB-Wax |
| Column length (m) | 60. | 30. | 60. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.50 | 0.25 | |
| Tstart (C) | 60. | 40. | 40. | 40. | 40. |
| Tend (C) | 280. | 210. | 230. | 230. | 230. |
| Heat rate (K/min) | 4. | 3. | 3. | 4. | 6. |
| Initial hold (min) | 3. | 2. | 2. | ||
| Final hold (min) | 15. | 20. | |||
| I | 1413. | 1427. | 1435. | 1433. | 1414. |
| Reference | Kiss, Csoka, et al., 2011 | Kumazawa, Sakai, et al., 2010 | Miyazawa, Fujita, et al., 2010 | Birtic, Ginies, et al., 2009 | Chen, Song, 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 | Stabilwax | HP-Innowax | Stabilwax | Innowax |
| Column length (m) | 30. | 30. | 30. | 60. | 50. |
| Carrier gas | Helium | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 40. | 35. | 50. | 40. | 60. |
| Tend (C) | 230. | 225. | 250. | 240. | 250. |
| Heat rate (K/min) | 6. | 6. | 6.5 | 3. | 2. |
| Initial hold (min) | 2. | 5. | 1.5 | 5. | |
| Final hold (min) | 20. | 10. | 10. | 10. | 60. |
| I | 1422. | 1436. | 1428. | 1425. | 1429. |
| Reference | Chen, Song, et al., 2009 | Watcharananun, Cadwallader, et al., 2009 | Thakeow, Angeli, et al., 2008 | Cros, Vandanjon, et al., 2007 | Bendimerad and Bendiab, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | ZB-Wax | ZB-Wax |
| Column length (m) | 60. | 60. | 60. | 30. | 30. |
| Carrier gas | He | He | He | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.53 | 0.53 | 0.53 | 0.32 | 0.32 |
| Phase thickness (μm) | 1. | 1. | 1. | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 240. | 240. | 240. | 250. | 250. |
| Heat rate (K/min) | 4. | 4. | 4. | 5. | 5. |
| Initial hold (min) | 2. | 2. | 2. | 2. | 2. |
| Final hold (min) | 20. | 20. | 20. | 5. | 10. |
| I | 1463. | 1467. | 1468. | 1400. | 1400. |
| Reference | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 | N/A | Wu, Krings, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-FFAP | Stabilwax | Supelcowax-10 | DB-Wax | HP-FFAP |
| Column length (m) | 30. | 60. | 30. | 60. | 50. |
| Carrier gas | 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 |
| Tstart (C) | 40. | 40. | 40. | 50. | 35. |
| Tend (C) | 120. | 240. | 200. | 210. | 230. |
| Heat rate (K/min) | 5. | 3. | 3. | 1.5 | 6. |
| Initial hold (min) | 5. | 5. | 10. | 5. | |
| Final hold (min) | 3. | 10. | 10. | 15. | |
| I | 1434. | 1425. | 1425. | 1430. | 1429. |
| Reference | López, Guzmán, et al., 2004 | Cros, Vandanjon, et al., 2003 | Vichi, Castellote, et al., 2003 | Chyau and Mau, 2001 | Preininger and Ullrich, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Supelcowax-10 | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 35. | 40. | 30. | 40. |
| Tend (C) | 220. | 200. | 200. | 170. | 210. |
| Heat rate (K/min) | 4. | 4. | 2. | 2. | 3. |
| Initial hold (min) | 3. | 10. | 2. | 4. | |
| Final hold (min) | 60. | ||||
| I | 1428. | 1443. | 1426. | 1425. | 1429. |
| Reference | Weckerle, Bastl-Borrmann, et al., 2001 | Girard and Durance, 2000 | Umano, Hagi, et al., 2000 | Buttery, Orts, et al., 1999 | Chyau and Mau, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M |
| Column length (m) | 60. | 60. | 60. | 60. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 34. | 40. | 30. | 35. |
| Tend (C) | 220. | 200. | 200. | 170. | 230. |
| Heat rate (K/min) | 5. | 2. | 2. | 3. | |
| Initial hold (min) | 10. | 3. | 2. | 4. | |
| Final hold (min) | 10. | 30. | 30. | ||
| I | 1441. | 1464. | 1423. | 1425. | 1400. |
| Reference | Kaya, Baser, et al., 1999 | Schlüter, Steinhart, et al., 1999 | Umano, Nakahara, et al., 1999 | Buttery and Ling, 1998 | Chatonnet and Dubourdieu, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Innowax | TC-Wax | Supelcowax-10 | PEG-20M |
| Column length (m) | 60. | 30. | 60. | 60. | 50. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.15 | |
| Tstart (C) | 50. | 40. | 80. | 40. | 60. |
| Tend (C) | 200. | 240. | 240. | 200. | 180. |
| Heat rate (K/min) | 3. | 6. | 3. | 3. | 2. |
| Initial hold (min) | 10. | 5. | 3. | 4. | |
| Final hold (min) | 40. | 25. | 30. | ||
| I | 1419. | 1426. | 1433. | 1426. | 1393. |
| Reference | Horiuchi, Umano, et al., 1998 | Petersen, Poll, et al., 1998 | Shuichi, Masazumi, et al., 1996 | Wong and Lai, 1996 | Togari, Kobayashi, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PEG-20M | DB-Wax | Carbowax 20M | DB-Wax | Supelcowax-10 |
| Column length (m) | 50. | 60. | 50. | 30. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.15 | 0.25 | |||
| Tstart (C) | 60. | 60. | 60. | 60. | 40. |
| Tend (C) | 180. | 220. | 180. | 240. | 175. |
| Heat rate (K/min) | 2. | 3. | 2. | 3. | 1. |
| Initial hold (min) | 4. | 4. | 4. | 10. | 5. |
| Final hold (min) | |||||
| I | 1399. | 1453. | 1400. | 1392. | 1429. |
| Reference | Togari, Kobayashi, et al., 1995 | Chung, Eiserich, et al., 1993 | Kawakami, Kobayashi, et al., 1993 | Hatsuko, Kazuko, et al., 1992 | Hsieh, Williams, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed | Capillary | Capillary |
|---|---|---|---|
| Active phase | Carbowax | Carbowax 20M | Carbowax 20M |
| Column length (m) | 3. | 150. | 150. |
| Carrier gas | He | ||
| Substrate | Chromosorb G AW DMCS | ||
| Column diameter (mm) | 0.64 | 0.64 | |
| Phase thickness (μm) | |||
| Tstart (C) | 60. | 50. | 50. |
| Tend (C) | 180. | 170. | 170. |
| Heat rate (K/min) | 4. | 1. | 1. |
| Initial hold (min) | 30. | 30. | |
| Final hold (min) | |||
| I | 1421. | 1430. | 1430. |
| Reference | Schieberle and Grosch, 1983 | Buttery, Parker, et al., 1981 | Buttery, Ling, et al., 1980 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K.,
Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary,
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Kumazawa, Sakai, et al., 2010
Kumazawa, K.; Sakai, N.; Amma, H.; Sakamoto, S.; Kodama, M.; Wada, Y.; Nishimura, O.,
Identification and formation of volatile components responsible for the characteristic aroma of Mat Rush (Igusa),
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Miyazawa, Fujita, et al., 2010
Miyazawa, N.; Fujita, A.; Kubota, K.,
Aroma character impact compounds in Kinokuni Mandarin Orange (Citrus kinikuni) compared with Satsuma Mandarin Orange,
Biosci. Biotechnol. Biochem., 2010, 74, 4, 835-842, https://doi.org/10.1271/bbb.90937
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Birtic, Ginies, et al., 2009
Birtic, S.; Ginies, C.; Causse, M.; Renard, C.M.G.C.; Page, D.,
Changes in volatiles and glycosides during fruit maturartion of two contrasted tomato (Solanum lycopersicum) lines,
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Chen, Song, et al., 2009
Chen, G.; Song, H.; Ma, C.,
Aroma-active aompounds of Beijing roast duck,
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Watcharananun, Cadwallader, et al., 2009
Watcharananun, W.; Cadwallader, K.R.; Huangrak, K.; Kim, H.; Lorjaroenphon, Y.,
Identification of predominant odorants in Thai desserts flavored by smoking with Tian Op, a traditional Thai scented candle,
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Thakeow, Angeli, et al., 2008
Thakeow, P.; Angeli, S.; Weissbecker, B.; Schutz, S.,
Antennal and behavioral responses of Cis boleti to fungal odor of Trametes gibbosa,
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Cros, Vandanjon, et al., 2007
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P.,
Processing of Industrial Mussel Cooking Juices by Reverse Osmotis: Pollution Abatement and Aromas Recovery, 2007, retrieved from title of Internet file: [imstec064]. [all data]
Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
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Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A.,
Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note,
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Wu, Krings, et al., 2005
Wu, S.; Krings, U.; Zorn, H.; Berger, R.G.,
Volatile compounds from the fruiting bodies of beefsteak fungus Fistulina hepatica (Schaeffer: Fr.) Fr.,
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López, Guzmán, et al., 2004
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Solid-phase microextraction and gas chromatography-mass spectrometry of volatile compounds from avocado puree after microwave processing,
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Cros, Vandanjon, et al., 2003
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IMSTEC'03 Conference Proceedings, Processing of industrial mussel cooking juices by reverse osmosis: pollution abatement and aromas recovery, Universoty of New South Wales, Sydney, Australia, 2003, 6. [all data]
Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection,
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Chyau and Mau, 2001
Chyau, C.-C.; Mau, J.-L.,
Effects of various oils on volatile compounds of deep-fried shallot flavouring,
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Preininger and Ullrich, 2001
Preininger, M.; Ullrich, F.,
Trace compound analysis for off-flavor characterization of micromilled milk powder,
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Weckerle, Bastl-Borrmann, et al., 2001
Weckerle, B.; Bastl-Borrmann, R.; Richling, E.; Hör, K.; Ruff, C.; Schreier, P.,
Cactus pear (Opuntia ficus indica) flavour constituents - chiral evaluation (MDGC-MS) and isotope ratio (HRGC-IRMS) analysis,
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Girard and Durance, 2000
Girard, B.; Durance, T.,
Headspace volatiles of sockeye and pink salmon as affected by retort process,
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Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.),
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Buttery, Orts, et al., 1999
Buttery, R.G.; Orts, W.J.; Takeoka, G.R.; Nam, Y.,
Volatile flavor components of rice cakes,
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. [all data]
Chyau and Mau, 1999
Chyau, C.-C.; Mau, J.-L.,
Release of volatile compounds from microwave heating of garlic juice with 2,4-decadienals,
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Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F.,
The essential oil of Acinos alpinus (L.) Moench growing in Turkey,
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Schlüter, Steinhart, et al., 1999
Schlüter, S.; Steinhart, H.; Schwarz, F.J.; Kirchgessner, M.,
Changes in the odorants of boiled carp fillet (Cyprinus carpio L.) as affected by increasing methionine levels in feed,
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Umano, Nakahara, et al., 1999
Umano, K.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Aroma chemicals isolated and identified from leaves of aloe arborescens Mill. Var. natalensis Berger,
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Buttery and Ling, 1998
Buttery, R.G.; Ling, L.C.,
Additional studies on flavor components of corn tortilla chips,
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Chatonnet and Dubourdieu, 1998
Chatonnet, P.; Dubourdieu, D.,
Identification of Substances Responsible for the sundust Aroma in Oak Wood,
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Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T.,
Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide,
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Petersen, Poll, et al., 1998
Petersen, M.A.; Poll, L.; Larsen, L.M.,
Comparison of volatiles in raw and boiled potatoes using a mild extraction technique combined with GC odour profiling and GC-MS,
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Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Wong and Lai, 1996
Wong, K.C.; Lai, F.Y.,
Volatile constituents from the fruits of four Syzygium species grown in Malaysia,
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Togari, Kobayashi, et al., 1995
Togari, N.; Kobayashi, A.; Aishima, T.,
Pattern recognition applied to gas chromatographic profiles of volatile components in three tea categories,
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. [all data]
Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds identified in headspace samples of peanut oil heated under temperatures ranging from 50 to 200 °C,
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. [all data]
Kawakami, Kobayashi, et al., 1993
Kawakami, M.; Kobayashi, A.; Kator, K.,
Volatile constituents of Rooibos tea (Aspalathus linearis) as affected by extraction process,
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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]
Hsieh, Williams, et al., 1989
Hsieh, T.C.Y.; Williams, S.S.; Vejaphan, W.; Meyers, S.P.,
Characterization of Volatile Components of Menhaden Fish (Brevoortia tyrannus) Oil,
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. [all data]
Schieberle and Grosch, 1983
Schieberle, P.; Grosch, W.,
Identifizierung von Aromastoffen aus der Kruste von Roggenbrot,
Z. Lebensm. Unters. Forsch., 1983, 177, 3, 173-180, https://doi.org/10.1007/BF01146791
. [all data]
Buttery, Parker, et al., 1981
Buttery, R.G.; Parker, F.D.; Teranishi, R.; Mon, T.R.; Ling, L.C.,
Volatile components of alfalfa leaf-cutter bee cells,
J. Agric. Food Chem., 1981, 29, 5, 955-958, https://doi.org/10.1021/jf00107a017
. [all data]
Buttery, Ling, et al., 1980
Buttery, R.G.; Ling, L.C.; Teranishi, R.,
Volatile of corn tassels: possible corn ear worm attractants,
J. Agric. Food Chem., 1980, 28, 4, 771-774, https://doi.org/10.1021/jf60230a020
. [all data]
Notes
Go To: Top, Normal alkane RI, 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.
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