2-Heptenal, (E)-

• Formula: C₇H₁₂O
• Molecular weight: 112.1696
• IUPAC Standard InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ Copy

  
• IUPAC Standard InChIKey: NDFKTBCGKNOHPJ-AATRIKPKSA-N Copy
• CAS Registry Number: 18829-55-5
• 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:
  • 2-Heptenal
  • 2-Heptenal, (Z)-
• Other names: (E)-2-Hepten-1-al; (E)-2-Heptenal; n-Hept-trans-2-enal; trans-2-Heptenal; Hept-trans-2-enal; 2-trans-Heptenal; trans-2-Hepten-1-al; β-Butylacrolein; 3-Butylacrolein; (2E)-2-Heptenal; (2E)-Heptenal; (E)-hept-2-enal; Hept-2(E)-enal; Hept-(E)-2-enal; 2-Heptenal, (2E)-
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Normal alkane RI, polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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

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.

Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S., Aroma compounds of flash-fried rice, Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]

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 . [all data]

Mo, Fan, et al., 2009
Mo, X.; Fan, W.; Xu, Y., Changes in volatile compounds of Chinese rice wine wheat qu during fermentation and storage, J. of the Institute of Brewing, 2009, 115, 4, 300-307, https://doi.org/10.1002/j.2050-0416.2009.tb00385.x . [all data]

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, J. Agric. Food Chem., 2009, 57, 3, 996-1005, https://doi.org/10.1021/jf802674c . [all data]

Guzman-Geronimo, Lopez, et al., 2008
Guzman-Geronimo, R.; Lopez, M.G.; Dorantes-Alvarez, L., Microwave processing of avocado: volatile flavor profiling and olfactometry, Innvative Food Sci. Eng. Technol., 2008, 9, 501-506. [all data]

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, Chem. Senses, 2008, 33, 4, 379-387, https://doi.org/10.1093/chemse/bjn005 . [all data]

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, J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u . [all data]

Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A., Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note, J. Agric. Food Chem., 2005, 53, 24, 9578-9585, https://doi.org/10.1021/jf058089l . [all data]

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., Food Chem., 2005, 92, 2, 221-226, https://doi.org/10.1016/j.foodchem.2004.07.013 . [all data]

López, Ezpeleta, et al., 2004
López, R.; Ezpeleta, E.; Sánchez, I.; Cacho, J.; Ferreira, V., Analysis of the aroma intensities of volatile compounds released from mild acid hydrolysates of odourless precursors extracted from Tempranillo and Grenache grapes using gas chromatography-olfactometry, Food Chem., 2004, 88, 1, 95-103, https://doi.org/10.1016/j.foodchem.2004.01.025 . [all data]

López, Guzmán, et al., 2004
López, M.G.; Guzmán, G.R.; Dorantes, A.L., Solid-phase microextraction and gas chromatography-mass spectrometry of volatile compounds from avocado puree after microwave processing, J. Chromatogr. A, 2004, 1036, 1, 87-90, https://doi.org/10.1016/j.chroma.2004.03.020 . [all data]

Cros, Vandanjon, et al., 2003
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P., 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, J. Chromatogr. A, 2003, 983, 1-2, 19-33, https://doi.org/10.1016/S0021-9673(02)01691-6 . [all data]

Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: modifications induced by oxidation and suitable markers of oxidative status, J. Agric. Food Chem., 2003, 51, 22, 6564-6571, https://doi.org/10.1021/jf030268k . [all data]

Vichi, Pizzale, et al., 2003, 2
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy, J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c . [all data]

Chyau and Mau, 2001
Chyau, C.-C.; Mau, J.-L., Effects of various oils on volatile compounds of deep-fried shallot flavouring, Food Chem., 2001, 74, 1, 41-46, https://doi.org/10.1016/S0308-8146(00)00336-8 . [all data]

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, Flavour Fragr. J., 2001, 16, 5, 360-363, https://doi.org/10.1002/ffj.1012 . [all data]

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.), J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738 . [all data]

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, J. Agric. Food Chem., 1998, 46, 12, 5232-5237, https://doi.org/10.1021/jf980482m . [all data]

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, Food Chem., 1998, 61, 4, 461-466, https://doi.org/10.1016/S0308-8146(97)00119-2 . [all data]

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]

Kobayashi, Tsuda, et al., 1995
Kobayashi, A.; Tsuda, Y.; Hirata, N.; Kubota, K.; Kitamura, K., Aroma constituents of soybean [Glycine max (L.) Merril] milk lacking lipoxygenase isozymes, J. Agric. Food Chem., 1995, 43, 9, 2449-2452, https://doi.org/10.1021/jf00057a025 . [all data]

Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020 . [all data]

Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A., Volatile components of purple starthistle, J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030 . [all data]

Binder, Turner, et al., 1990, 2
Binder, R.G.; Turner, C.E.; Flath, R.A., Comparison of yellow starthistle volatiles from different plant parts, J. Agric. Food Chem., 1990, 38, 3, 764-767, https://doi.org/10.1021/jf00093a038 . [all data]

Binder and Flath, 1989
Binder, R.G.; Flath, R.A., Volatile components of pineapple guava, J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034 . [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, J. Amer. Oil Chem. Soc., 1989, 66, 1, 114-117, https://doi.org/10.1007/BF02661797 . [all data]

Mihara, Tateba, et al., 1988
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K., The volatile components of Chinese quince (Pseudocydonia sinensis Schneid) in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 537-550. [all data]

Mihara, Tateba, et al., 1987
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K., Volatile components of Chinese quince (Pseudocydonia sinensis Schneid), J. Agric. Food Chem., 1987, 35, 4, 532-537, https://doi.org/10.1021/jf00076a023 . [all data]

Wu, Liou, et al., 1987
Wu, C.-M.; Liou, S.-E.; Chang, Y.-H.; Chiang, W., Volatile compounds of the wax gourd (Benincasa hispida, Cogn) and a wax gourd beverage, J. Food Sci., 1987, 52, 1, 132-134, https://doi.org/10.1111/j.1365-2621.1987.tb13988.x . [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
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