1-Octen-3-one

• Formula: C₈H₁₄O
• Molecular weight: 126.1962
• IUPAC Standard InChI: InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3 Copy

  
• IUPAC Standard InChIKey: KLTVSWGXIAYTHO-UHFFFAOYSA-N Copy
• CAS Registry Number: 4312-99-6
• 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:
  • 1-octene-3-one
• Other names: Vinyl amyl ketone; Pentyl vinyl ketone; Amyl vinyl ketone; 1-Octene-3-one; Oct-1-en-3-one; octen-3-one, 1
• Information on this page:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
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Normal alkane 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

References

Go To: Top, Normal alkane 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.

Srisajjalerwaja, Apichartsrangkoon, et al., 2012
Srisajjalerwaja, S.; Apichartsrangkoon, A.; Chaikham, P.; Chakrabandhu, Y.; Pathomrungsiyounggul, P.; Leksawasdi, N.; Supraditareporn, W.; Hirun, S., Color, capsaicin and volatile components of baked thai green chili (Capsicum anmuum Linn. var. Jak Ka Pat), J. Agricultural Sci., 2012, 4, 12, 75-84. [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Liu, Lu, et al., 2011
Liu, S.; Lu, S.; Su, Y.; Guo, Y., Analysis of volatile compounds in Radix Bupleuri injection by GC-MS-MS, Chromatographia, 2011, 74, 5-6, 497-502, https://doi.org/10.1007/s10337-011-2082-7 . [all data]

Miyazawa, Marumoto, et al., 2011
Miyazawa, M.; Marumoto, S.; Kobayashi, T.; Yoshida, S.; Utsumi, Y., Determination of characteristic components in essential oils from Wisteria braphybotrys using gas chromatography - olfactometry incremental dilution technique, Rec. Nat. Prod., 2011, 5, 3, 221-227. [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [all data]

Laselan, Buettner, et al., 2009
Laselan, P.; Buettner, A.; Christlbauer, M., Investigation of the retronasal perseption of palm wine (Elaeis guineensis) aroma by application of sensory analysis and exhaled odorant measurement (EXOM), African J. of Food, Agriculture, Nutrition and development, 2009, 9, 2, 793-813. [all data]

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, J. Ess. Oil Res., 2009, 21, 1, 33-35, https://doi.org/10.1080/10412905.2009.9700101 . [all data]

Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E., Latency and persistence of diet volatile biomarkers in lamb fats, J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q . [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]

Breme, Langle, et al., 2008
Breme, K.; Langle, S.; Fernandez, X.; Meierhenrich, U.J.; Brevard, H.; Joulain, D., Character impact odorants from Brassicaceae by aroma extracts dilution analysis (AEDA): Brassica cretica and Brassica insularis, Flavour Fragr. J., 2008, 24, 2, 88-93, https://doi.org/10.1002/ffj.1912 . [all data]

Frerot, Velluz, et al., 2008
Frerot, E.; Velluz, A.; Bagnoud, A.; Delort, E., Analysis of the volatile constituents of cooked petai beans (Parkia speciosa) using high-resolution GC/TOF-MS, Flav. Fragr. J., 2008, 23, 6, 434-440, https://doi.org/10.1002/ffj.1902 . [all data]

Berdague, Tournayre, et al., 2007
Berdague, J.L.; Tournayre, P.; Cambou, S., Novel multi-gas chromatography?olfactometry device and software for the identification of odour-active compounds, J. Chromatogr. A, 2007, 1146, 1, 85-92, https://doi.org/10.1016/j.chroma.2006.12.102 . [all data]

Morteza-Semnani, Saeedi, et al., 2007
Morteza-Semnani, K.; Saeedi, M.; Akbarzadeh, M., Essential oil composition of Teucrium scordium L., Acta Pharm., 2007, 57, 4, 499-504, https://doi.org/10.2478/v10007-007-0040-6 . [all data]

Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C., Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction, J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732 . [all data]

Zeller and Rychlik, 2007
Zeller, A.; Rychlik, M., Impact of estragole and other odorants on the flavour of anise and tarragon, Flavour Fragr. J., 2007, 22, 2, 105-113, https://doi.org/10.1002/ffj.1765 . [all data]

Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Lotfy, S.N., Quality and flavour stability of coffee substitute prepared by extrusion of wheat germ and chicory roots, Amino Acids, 2006, https://doi.org/10.1007/s007260200008 . [all data]

Figuérédo, Cabassu, et al., 2006
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B., Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins, Flavour Fragr. J., 2006, 21, 1, 134-139, https://doi.org/10.1002/ffj.1543 . [all data]

La Guerche S., Dauphin B., et al., 2006
La Guerche S.; Dauphin B.; Pons M.; Blancard D.; Darriet P., Characterization of some mushroom and earthy off-odors microbially induced by the development of rot on grapes, J. Agric. Food Chem., 2006, 54, 24, 9193-9200, https://doi.org/10.1021/jf0615294 . [all data]

Shen X., Gao Y., et al., 2006
Shen X.; Gao Y.; Su Q.D., Constituents of the essential oil of Rhizoma polygonati, Flavour Fragr. J., 2006, 21, 3, 556-558, https://doi.org/10.1002/ffj.1666 . [all data]

de Souza, Vásquez, et al., 2006
de Souza, M.D.C.A.; Vásquez, P.; del Mastro, N.L.; Acree, T.E.; Lavin, E.H., Characterization and cachaca and rum aroma, J. Agric. Food Chem., 2006, 54, 2, 485-488, https://doi.org/10.1021/jf0511190 . [all data]

Boustie, Rapior, et al., 2005
Boustie, J.; Rapior, S.; Fortin, H.; Tomas, S.; Bessiere, J.-M., Chemotaxonomic interest of volatile components in Lepista inversa and Lepista flaccida distinctions, Cryptogamie, Mycologie, 2005, 26, 1, 1-4. [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]

Kilic, Hafizoglu, et al., 2004
Kilic, A.; Hafizoglu, H.; Kollmannsberger, H.; Nitz, S., Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L., J. Agric. Food Chem., 2004, 52, 6, 1601-1606, https://doi.org/10.1021/jf0306237 . [all data]

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, J. Agric. Food Chem., 2004, 52, 8, 2326-2334, https://doi.org/10.1021/jf0352677 . [all data]

Triqui and Bouchriti, 2003
Triqui, R.; Bouchriti, N., Freshness assessments of Moroccan sardine (Sardina pilchardus): comparison of overall sensory changes to instrumentally determined volatiles, J. Agric. Food Chem., 2003, 51, 26, 7540-7546, https://doi.org/10.1021/jf0348166 . [all data]

Darriet, Pons, et al., 2002
Darriet, P.; Pons, M.; Henry, R.; Dumont, O.; Findeling, V.; Cartolaro, P.; Calonnec, A.; Dubourdieu, D., Impact odorants contributing to the fungus type aroma from grape berries contaminated by powdery mildew (Uncinula necator); incidence of enzymatic activities of the yeast Saccharomyces cerevisiae, J. Agric. Food Chem., 2002, 50, 11, 3277-3282, https://doi.org/10.1021/jf011527d . [all data]

Lin, Rouseff, et al., 2002
Lin, J.; Rouseff, R.L.; Barros, S.; Naim, M., Aroma composition changes in early season grapefruit juice produced from thermal concentration, J. Agric. Food Chem., 2002, 50, 4, 813-819, https://doi.org/10.1021/jf011154g . [all data]

Sanz, Czerny, et al., 2002
Sanz, C.; Czerny, M.; Cid, C.; Schieberle, P., Comparison of potent odorants in a filtered coffee brew and in an instant coffee beverage by aroma extract dilution analysis (AEDA), Eur. Food Res. Technol., 2002, 214, 4, 299-302, https://doi.org/10.1007/s00217-001-0459-9 . [all data]

Cadwallader and Heo, 2001
Cadwallader, K.R.; Heo, J., Aroma of roasted sesame oil: characterization by direct thermal desorption-gas chromatography-olfactometry and sample dilution analysis, Am. Chem. Soc. Symp. Ser., 2001, 782, 187-202. [all data]

Lee, Suriyaphan, et al., 2001
Lee, G.-H.; Suriyaphan, O.; Cadwallader, K.R., Aroma components of cooked tail meat of American lobster (Homarus americanus), J. Agric. Food Chem., 2001, 49, 9, 4324-4332, https://doi.org/10.1021/jf001523t . [all data]

Rouseff, Jella, et al., 2001
Rouseff, R.; Jella, P.; Bazemore, R.; Yang, J.-J., Aroma active internal standards for gas chromatography-olfactometry of grapefruit juices, Am. Chem. Soc. Symp. Ser., 2001, 782, 73-87. [all data]

Suriyaphan, Drake, et al., 2001
Suriyaphan, O.; Drake, M.; Chen, X.Q.; Cadwallader, K.R., Characteristic aroma components of British farmhouse cheddar cheese, J. Agric. Food Chem., 2001, 49, 3, 1382-1387, https://doi.org/10.1021/jf001121l . [all data]

Czerny and Grosch, 2000
Czerny, M.; Grosch, W., Potent odorants of raw Arabica coffee. Their changes during roasting, J. Agric. Food Chem., 2000, 48, 3, 868-872, https://doi.org/10.1021/jf990609n . [all data]

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, J. Agric. Food Chem., 1999, 47, 12, 5146-5150, https://doi.org/10.1021/jf9902604 . [all data]

Suriyaphan, Drake, et al., 1999
Suriyaphan, O.; Drake, M.A.; Cadwallader, K.R., Identification of volatile off-flavors in reduced-fat cheddar cheeses containing lecitin, Lebensm.-Wiss. u. Technol., 1999, 32, 5, 250-254, https://doi.org/10.1006/fstl.1999.0543 . [all data]

Fons, Rapior, et al., 1998
Fons, F.; Rapior, S.; Gargadennec, A.; Andary, C.; Bessiere, J.-M., Volatile components of Plantago lanceolata (Plantaginaceae), Acta bot. Gallica, 1998, 145, 4, 265-269, https://doi.org/10.1080/12538078.1998.10516306 . [all data]

Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J., Studies on popcorn aroma and flavor volatiles, J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807 . [all data]

Farkas, Sádecká, et al., 1997
Farkas, P.; Sádecká, J.; Kovác, M.; Siegmund, B.; Leitner, E.; Pfannhauser, W., Key odourants of pressure-cooked hen meat, Food Chem., 1997, 60, 4, 617-621, https://doi.org/10.1016/S0308-8146(97)00042-3 . [all data]

Milo and Grosch, 1996
Milo, C.; Grosch, W., Changes in the odorants of boiled salmon and cod as affected by the storage of the raw material, J. Agric. Food Chem., 1996, 44, 8, 2366-2371, https://doi.org/10.1021/jf9507203 . [all data]

Roberts and Acree, 1996
Roberts, D.D.; Acree, T.E., Effects of heating and cream addition on fresh raspberry aroma using a retronasal aroma simulator and gas chromatography olfactometry, J. Agric. Food Chem., 1996, 44, 12, 3919-3925, https://doi.org/10.1021/jf950701t . [all data]

Milo and Grosch, 1995
Milo, C.; Grosch, W., Detection of odor defects in boiled cod and trout by gas chromatography-olfactometry of headspace samples, J. Agric. Food Chem., 1995, 43, 2, 459-462, https://doi.org/10.1021/jf00050a038 . [all data]

Shiota, 1993
Shiota, H., New esteric components in the volatiles of banana fruit (Musa sapientum L.), J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046 . [all data]

Bravo, Hotchkiss, et al., 1992
Bravo, A.; Hotchkiss, J.H.; Acree, T.E., Identification of ordor-active compounds resulting from thermal oxidation of polyethylene, J. Agric. Food Chem., 1992, 40, 10, 1881-1885, https://doi.org/10.1021/jf00022a031 . [all data]

Notes

Go To: Top, Normal alkane 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
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