2,3-Pentanedione

• Formula: C₅H₈O₂
• Molecular weight: 100.1158
• IUPAC Standard InChI: InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: TZMFJUDUGYTVRY-UHFFFAOYSA-N Copy
• CAS Registry Number: 600-14-6
• 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.
• Other names: Acetylpropionyl; 2,3-Pentadione; CH3C(O)C(O)C2H5; Pentan-2,3-dione; Pentane-2,3-dione; 2,3-Pentandione
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• Information on this page:
  • Van Den Dool and Kratz RI, polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
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  • UV/Visible spectrum
  • Gas Chromatography
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Van Den Dool and Kratz RI, polar column, custom temperature program

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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, Van Den Dool and Kratz 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.

Bianchi, Cantoni, et al., 2007
Bianchi, F.; Cantoni, C.; Careri, M.; Chiesa, L.; Musci, M.; Pinna, A., Characterization of the aromatic profile for the authentication and differentiation of typical Italian dry-sausages, Talanta, 2007, 72, 4, 1552-1563, https://doi.org/10.1016/j.talanta.2007.02.019 . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

Escudero, Campo, et al., 2007
Escudero, A.; Campo, E.; Fariña, L.; Cacho, J.; Ferreira, V., Analytical Characterization of the Aroma of Five Premium Red Wines. Insights into the Role of Odor Families and the Concept of Fruitiness of Wines, J. Agric. Food Chem., 2007, 55, 11, 4501-4510, https://doi.org/10.1021/jf0636418 . [all data]

Majcher and Jelen, 2007
Majcher, M.A.; Jelen, H.H., Effect of Cysteine and Cystine Addition on Sensory Profile and Potent Odorants of Extruded Potato Snacks, J. Agric. Food Chem., 2007, 55, 14, 5754-5760, https://doi.org/10.1021/jf0703147 . [all data]

Hallier, Prost, et al., 2005
Hallier, A.; Prost, C.; Serot, T., Influence in rearing conditions on the volatile compounds of cooked fillets of Silurus glanis (European catfish), J. Agric. Food Chem., 2005, 53, 18, 7204-7211, https://doi.org/10.1021/jf050559o . [all data]

Ranau, Kleeberg, et al., 2005
Ranau, R.; Kleeberg, K.K.; Schlegelmilch, M.; Streese, J.; Stegmann, R.; Steinhart, H., Analytical determination of the suitability of different processes for the treatment of odorous waste gas, Waste Management, 2005, 25, 9, 908-916, https://doi.org/10.1016/j.wasman.2005.07.004 . [all data]

Ranau and Steinhart, 2005
Ranau, R.; Steinhart, H., Identification and evaluation of volatile odor-active pollutants from different odor emission sources in the food industry, Eur. Food Res. Technol., 2005, 220, 2, 226-231, https://doi.org/10.1007/s00217-004-1073-4 . [all data]

Alasalvar, Shahidi, et al., 2003
Alasalvar, C.; Shahidi, F.; Cadwallader, K.R., Comparison of natural and roasted Turkish Tombul hazelnut (Corylus avellana L.) volatiles and flavor by DHA/GC/MS and descriptive sensory analysis, J. Agric. Food Chem., 2003, 51, 17, 5067-5072, https://doi.org/10.1021/jf0300846 . [all data]

Engel and Schieberle, 2002
Engel, W.; Schieberle, P., Identification and quantitation of key aroma compounds formed in Maillard-type reactions of fructose with cysteamine or isothiaproline (1,3-thiazolidine-2-carboxylic acid), J. Agric. Food Chem., 2002, 50, 19, 5394-5399, https://doi.org/10.1021/jf0203186 . [all data]

Kirchhoff and Schieberle, 2001
Kirchhoff, E.; Schieberle, P., Determination of key aroma compounds in the crumb of a three-stage sourdough rye bread by stable isotope dilution assays and sensory studies, J. Agric. Food Chem., 2001, 49, 9, 4304-4311, https://doi.org/10.1021/jf010376b . [all data]

Radovic, Careri, et al., 2001
Radovic, B.S.; Careri, M.; Mangia, A.; Musci, M.; Gerboles, M.; Anklam, E., Analytical, nutritional, and clinical methods section. Contribution of dynamic headspace GC-MS analysis of aroma compounds to authenticity testing of honey, Food Chem., 2001, 72, 4, 511-520, https://doi.org/10.1016/S0308-8146(00)00263-6 . [all data]

Sérot, Regost, et al., 2001
Sérot, T.; Regost, C.; Prost, C.; Robin, J.; Arzel, J., Effect of dietary lipid sources on odour-active compounds in muscle of turbot (Psetta maxima), J. Sci. Food Agric., 2001, 81, 14, 1339-1346, https://doi.org/10.1002/jsfa.950 . [all data]

Tairu, Hofmann, et al., 2000
Tairu, A.O.; Hofmann, T.; Schieberle, P., Studies on the key odorants formed by roasting of wild mango seeds (Irvingia gabonensis), J. Agric. Food Chem., 2000, 48, 6, 2391-2394, https://doi.org/10.1021/jf990765u . [all data]

Boatright and Lei, 1999
Boatright, W.L.; Lei, Q., Compounds contributing to the Beany odor of aqueous solutions of soy protein isolates, J. Food Sci., 1999, 64, 4, 667-670, https://doi.org/10.1111/j.1365-2621.1999.tb15107.x . [all data]

Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P., Identification of the key odorants in raw French beans and changes during cooking, Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322 . [all data]

Prost, Serot, et al., 1998
Prost, C.; Serot, T.; Demaimay, M., Identification of the most potent odorants in wild and farmed cooked turbot (Scophtalamus maximus L.), J. Agric. Food Chem., 1998, 46, 8, 3214-3219, https://doi.org/10.1021/jf980128o . [all data]

Münch, Hofmann, et al., 1997
Münch, P.; Hofmann, T.; Schieberle, P., Comparison of key odorants generated by thermal treatment of commercial and self-prepared yeast extracts: influence of the amino acid composition on odorant formation, J. Agric. Food Chem., 1997, 45, 4, 1338-1344, https://doi.org/10.1021/jf960658p . [all data]

Baek and Cadwallader, 1996
Baek, H.H.; Cadwallader, K.R., Volatile compounds in flavor concentrates produced from crayfish-processing byproducts with and without protease treatment, J. Agric. Food Chem., 1996, 44, 10, 3262-3267, https://doi.org/10.1021/jf960023q . [all data]

Beal and Mottram, 1994
Beal, A.D.; Mottram, D.S., Compounds contributing to the characteristic aroma of malted barley, J. Agric. Food Chem., 1994, 42, 12, 2880-2884, https://doi.org/10.1021/jf00048a043 . [all data]

Maignial, Pibarot, et al., 1992
Maignial, L.; Pibarot, P.; Bonetti, G.; Chaintreau, A.; Marion, J.P., Simultaneous distillation-extraction under static vacuum: isolation of volatile compounds at room temperature, J. Chromatogr., 1992, 606, 1, 87-94, https://doi.org/10.1016/0021-9673(92)85260-Z . [all data]

Notes

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