2,3-Butanedione

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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

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Supelcowax-10Supelcowax-10Supelcowax-10DB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas  HeHeHeH2
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm) 0.250.250.250.250.5
Program 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min)
I 989.986.988.989.1012.
ReferenceBianchi, Cantoni, et al., 2007Bianchi, Careri, et al., 2007Bianchi, Careri, et al., 2007Bianchi, Careri, et al., 2007Escudero, Campo, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10FFAPDB-WaxDB-WaxFFAP
Column length (m) 30.30.30.30.60.
Carrier gas   H2HeHe
Substrate      
Column diameter (mm) 0.250.320.320.320.25
Phase thickness (μm) 0.250.250.50.50.5
Program 40C(2min) => 40C/min => 60C(2min) => 5C/min => 240C40C(2min) => 6C/min => 150C => 20C/min => 230C40C(5min) => 4C/min => 100C => 6C/min => 200C40C(5min) => 10C/min => 160C => 15C/min => 230C50C(3min) => 3C/min => 100C => 10C/min => 220C(13.5min)
I 986.967.1012.947.982.
ReferenceMajcher and Jelen, 2007Schuh and Schieberle, 2006Campo, Ferreira, et al., 2005Hallier, Prost, et al., 2005Ranau, Kleeberg, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPStabilwaxDB-WaxStabilwaxStabilwax
Column length (m) 60.30.60.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.320.32
Phase thickness (μm) 0.51.0.251.1.
Program 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)35C(0.7min) => 20C/min => 70C => 4C/min => 240C40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)
I 982.976.943.999.998.
ReferenceRanau and Steinhart, 2005Wang, Finn, et al., 2005Ferrari, Lablanquie, et al., 2004Klesk, Qian, et al., 2004Klesk and Qian, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-FFAPFFAPFFAPFFAP
Column length (m) 30.30.30.30.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.320.320.250.32
Phase thickness (μm) 0.50.250.250.250.25
Program 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min)35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min)40C (2min) => 40C/min => 60C (1min) => 6C/min => 230C (15min)40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)
I 982.991.980.985.1000.
ReferenceKlesk and Qian, 2003, 2Carrapiso, Ventanas, et al., 2002Engel and Schieberle, 2002Jezussek, Juliano, et al., 2002Kirchhoff and Schieberle, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-FFAPFFAPDB-FFAPFFAP
Column length (m) 30.30.30.30.30.
Carrier gas  HeHe He
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm) 0.250.250.250.250.25
Program 50C (2min) => 6C/min => 180C => 10C/min => 240C(10min)35 0C (2 min) 40 K/min -> 60 0C (2 min) 6 K/min -> 230 0C40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min)40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C(5min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C (5min) => 10C/min => 230C (5min)
I 990.976.1000.991.979.
ReferenceRhlid, Fleury, et al., 2002Zehentbauer and Reineccius, 2002Kirchhoff and Schieberle, 2001Munk, Johansen, et al., 2001Tairu, Hofmann, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPFFAPFFAPFFAPDB-FFAP
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (μm) 0.250.250.250.250.25
Program 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min)35C (2min) => 40C/min => 60C => 4C/min => 230C (10min)35C (2min) => 40C/min => 60C => 4C/min => 230C (10min)40C(2min) => 40C/min => 60C(2min) => 6C/min => 230C(10min)
I 989.970.987.987.984.
ReferenceZimmermann and Schieberle, 2000Buettner and Schieberle, 1999Derail, Hofmann, et al., 1999Derail, Hofmann, et al., 1999Mutti and Grosch, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPFFAPDB-WaxDB-WaxDB-Wax
Column length (m) 25.30.30.30.30.
Carrier gas HeHe   
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (μm) 0.50.250.50.50.5
Program 35C (2min) => 40C/min => 60C => 6C/min => 230C (10min)35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10 min)50C => 3C/min => 180C => 5C/min => 250C (15min)50C => 3C/min => 180C => 5C/min => 250C (15min)50C => 3C/min => 180C => 5C/min => 250C (15min)
I 977.970.982.982.982.
ReferenceFickert and Schieberle, 1998Hinterholzer, Lemos, et al., 1998Prost, Serot, et al., 1998Prost, Serot, et al., 1998Prost, Serot, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPSupelcowax-10FFAPSupelcowax-10Supelcowax-10
Column length (m) 30.60.30.60.60.
Carrier gas He He He
Substrate      
Column diameter (mm) 0.320.250.320.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 40C (2min) => 40C/min => 60C (2min) => 240C (10min)40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min)40C (2min) => 40C/min => 60C (5min) => 6C/min => 230C (15min)20C(0.5min) => fast => 60C => 4C/min => 220C20C(0.5min) => 60C => 4C/min => 250C
I 978.985.968.968.976.
ReferenceMünch, Hofmann, et al., 1997Baek and Cadwallader, 1996Hofmann and Schieberle, 1995Maignial, Pibarot, et al., 1992Sing, Smadja, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase Carbowax 20M
Column length (m) 150.
Carrier gas  
Substrate  
Column diameter (mm) 0.75
Phase thickness (μm)  
Program not specified
I 975.
ReferenceWhitfield, Shea, et al., 1981
Comment MSDC-RI

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]

Schuh and Schieberle, 2006
Schuh, C.; Schieberle, P., Characterization of the Key Aroma Compounds in the Beverage Prepared from Darjeeling Black Tea: Quantitative Differences between Tea Leaves and Infusion, J. Agric. Food Chem., 2006, 54, 3, 916-924, https://doi.org/10.1021/jf052495n . [all data]

Campo, Ferreira, et al., 2005
Campo, E.; Ferreira, V.; Escudero, A.; Cacho, J., Prediction of the wine sensory properties related to grape variety from dynamic-headspace gas chromatography-olfactometry data, J. Agric. Food Chem., 2005, 53, 14, 5682-5690, https://doi.org/10.1021/jf047870a . [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]

Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C., Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis, J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m . [all data]

Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E., Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation, J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d . [all data]

Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R., Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington, J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721 . [all data]

Klesk and Qian, 2003
Klesk, K.; Qian, M., Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries, J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209 . [all data]

Klesk and Qian, 2003, 2
Klesk, K.; Qian, M., Preliminary aroma comparison of Marion (Rubus spp. hyb) and Evergreen (R. laciniatus L.) blackberries by dynamic headspace/OSME technique, J. Food Sci., 2003, 68, 2, 697-700, https://doi.org/10.1111/j.1365-2621.2003.tb05734.x . [all data]

Carrapiso, Ventanas, et al., 2002
Carrapiso, A.I.; Ventanas, J.; García, C., Characterization of the most odor-active compounds of Iberian ham headspace, J. Agric. Food Chem., 2002, 50, 7, 1996-2000, https://doi.org/10.1021/jf011094e . [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]

Jezussek, Juliano, et al., 2002
Jezussek, M.; Juliano, B.O.; Schieberle, P., Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis, J. Agric. Food Chem., 2002, 50, 5, 1101-1105, https://doi.org/10.1021/jf0108720 . [all data]

Kirchhoff and Schieberle, 2002
Kirchhoff, E.; Schieberle, P., Quantitation of odor-active compounds in rye flour and rye sourdough using stable isotope dilution assays, J. Agric. Food Chem., 2002, 50, 19, 5378-5385, https://doi.org/10.1021/jf020236h . [all data]

Rhlid, Fleury, et al., 2002
Rhlid, R.B.; Fleury, Y.; Blank, I.; Fay, L.B.; Welti, D.H.; Vera, F.A.; Juillerat, M.A., Generation of roasted notes based on 2-acetyl-2-thiazoline and its precursor, 2-(1-hydroxyethyl)-4,5-dihydrothiazole, by combined bio and thermal approaches, J. Agric. Food Chem., 2002, 50, 8, 2350-2355, https://doi.org/10.1021/jf011170d . [all data]

Zehentbauer and Reineccius, 2002
Zehentbauer, G.; Reineccius, G.A., Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay, Flavour Fragr. J., 2002, 17, 4, 300-305, https://doi.org/10.1002/ffj.1102 . [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]

Munk, Johansen, et al., 2001
Munk, S.; Johansen, C.; Stahnke, L.H.; Adler-Nissen, J., Microbial survival and odor in laundry, Journal of Surfactants and Detergents, 2001, 4, 4, 385-394, https://doi.org/10.1007/s11743-001-0192-2 . [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]

Zimmermann and Schieberle, 2000
Zimmermann, M.; Schieberle, P., Important odorants of sweet bell pepper powder (Capsicum annuum cv. annuum): differences between samples of Hungarian and Morrocan origin, Eur. Food Res. Technol., 2000, 211, 3, 175-180, https://doi.org/10.1007/s002170050019 . [all data]

Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P., Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden), J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l . [all data]

Derail, Hofmann, et al., 1999
Derail, C.; Hofmann, T.; Schieberle, P., Differences in key odorants of handmade juice of yellow-flesh peaches (Prunus persica L.) induced by the workup procedure, J. Agric. Food Chem., 1999, 47, 11, 4742-4745, https://doi.org/10.1021/jf990459g . [all data]

Mutti and Grosch, 1999
Mutti, B.; Grosch, W., Potent odorants of boiled potatoes, Nahrung, 1999, 43, 5, 302-306, https://doi.org/10.1002/(SICI)1521-3803(19991001)43:5<302::AID-FOOD302>3.0.CO;2-8 . [all data]

Fickert and Schieberle, 1998
Fickert, B.; Schieberle, P., Identification of the key odorants in barley malt (caramalt) using GC/MS techniques and odour dilution analyses, Nahrung, 1998, 42, 6, 371-375, https://doi.org/10.1002/(SICI)1521-3803(199812)42:06<371::AID-FOOD371>3.0.CO;2-V . [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]

Hofmann and Schieberle, 1995
Hofmann, T.; Schieberle, P., Evaluation of the key odorants in a thermally treated solution of ribose and cysteine by aroma extract dilution techniques, J. Agric. Food Chem., 1995, 43, 8, 2187-2194, https://doi.org/10.1021/jf00056a042 . [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]

Sing, Smadja, et al., 1992
Sing, A.S.C.; Smadja, J.; Brevard, H.; Maignial, L.; Chaintreau, A.; Marion, J.-P., Volatile constituents of faham (Jumellea fragrans (Thou.) Schltr.), J. Agric. Food Chem., 1992, 40, 4, 642-646, https://doi.org/10.1021/jf00016a024 . [all data]

Whitfield, Shea, et al., 1981
Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J., Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands, Aust. J. Bot., 1981, 29, 2, 195-208, https://doi.org/10.1071/BT9810195 . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References