2,3-Butanedione
- Formula: C4H6O2
- Molecular weight: 86.0892
- IUPAC Standard InChIKey: QSJXEFYPDANLFS-UHFFFAOYSA-N
- CAS Registry Number: 431-03-8
- 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:
- Other names: Biacetyl; Butane-2,3-dione; Butanedione; Diacetyl; Dimethyl diketone; Dimethyl glyoxal; 2,3-Butadione; 2,3-Diketobutane; (CH3CO)2; Glyoxal, dimethyl-; Butadione; UN 2346; 2,3-Dioxobutane; 2,3-Butandione; Buta-2,3-dione; Butan-2,3-dione; NSC 8750; butane-2,3-dione (diacetyl); 2,3-butanedione (diacetal); 2,3-butanedione (diacetyl); Butan-2,3-dione (diacetyl); Butanedione (diacetyl); 2,3 Butandione (Diacetyl); 2,3-butanodione
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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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 MS | HP-5 MS | SE-54 | SLB-5MS | RTX-5 |
Column length (m) | 25. | 30. | 30. | 10. | 60. |
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.32 | 0.18 | 0.32 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.18 | 1. |
Tstart (C) | 40. | 35. | 0. | 40. | 40. |
Tend (C) | 250. | 195. | 200. | 295. | 205. |
Heat rate (K/min) | 10. | 2. | 6. | 10. | 4. |
Initial hold (min) | 1. | 5. | 2. | 1.5 | 5. |
Final hold (min) | 30. | 5. | |||
I | 609. | 587. | 592. | 599. | 589. |
Reference | Majcher, Lawrowski, et al., 2010 | Kim and Chung, 2009 | Laselan, Buettner, et al., 2009 | Risticevic, Carasek, et al., 2008 | Berdague, Tournayre, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | DB-5 | DB-5 | HP-5 | MDN-5 |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | ||
Tstart (C) | 40. | 60. | 50. | 30. | 40. |
Tend (C) | 230. | 250. | 250. | 260. | 270. |
Heat rate (K/min) | 3. | 4. | 4. | 2. | 4. |
Initial hold (min) | 5. | 5. | 5. | 2. | 4. |
Final hold (min) | 5. | 28. | 5. | ||
I | 594. | 607. | 607. | 592.4 | 585. |
Reference | Vasta, Ratel, et al., 2007 | Fadel, Mageed, et al., 2006 | Fadel, Mageed, et al., 2006, 2 | Leffingwell and Alford, 2005 | van Loon, Linssen, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | MDN-5 | SPB-5 | 5 % Phenyl methyl siloxane | DB-5 | SPB-5 |
Column length (m) | 60. | 30. | 0. | 30. | 60. |
Carrier gas | He | He | He | H2 | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | 1.0 |
Tstart (C) | 40. | 60. | 40. | 60. | 30. |
Tend (C) | 270. | 250. | 250. | 280. | 230. |
Heat rate (K/min) | 4. | 4. | 7. | 4. | 3. |
Initial hold (min) | 4. | 2. | 10. | 10. | |
Final hold (min) | 5. | 20. | 5. | 40. | |
I | 585. | 612. | 593. | 612. | 602. |
Reference | van Loon, Linssen, et al., 2005 | Pino, Marbot, et al., 2005 | Ramírez, Estévez, et al., 2004 | Pino, Marbot, et al., 2003 | Sebastian, Viallon-Fernandez, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | DB-5 | DB-5MS | DB-5 | AT-1 |
Column length (m) | 30. | 30. | 30. | 60. | |
Carrier gas | Helium | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.53 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 1.5 | 1. | |
Tstart (C) | 60. | 40. | 40. | 40. | 50. |
Tend (C) | 250. | 230. | 225. | 200. | 300. |
Heat rate (K/min) | 4. | 6. | 6. | 3. | 10. |
Initial hold (min) | 2. | 2. | 5. | 5. | 2. |
Final hold (min) | 20. | 5. | 30. | ||
I | 612. | 590. | 613. | 588. | 603. |
Reference | Pino, Marbot, et al., 2002 | Sanz, Czerny, et al., 2002 | Cadwallader and Heo, 2001 | Joffraud, Leroi, et al., 2001 | Kelling, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | HP-5 | DB-5 | OV-101 | DB-1 |
Column length (m) | 60. | 60. | 30. | 50. | 60. |
Carrier gas | He | He | H2 | Nitrogen | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.5 | ||
Tstart (C) | 40. | 40. | 60. | 40. | 30. |
Tend (C) | 200. | 240. | 245. | 200. | 200. |
Heat rate (K/min) | 2. | 3. | 3. | 2. | 4. |
Initial hold (min) | 5. | 3. | 10. | 25. | |
Final hold (min) | 30. | 20. | 20. | ||
I | 606. | 586. | 600. | 562. | 560. |
Reference | Lee, Suriyaphan, et al., 2001 | García, Martín, et al., 2000 | Kotseridis and Baumes, 2000 | Tamura, Boonbumrung, et al., 2000 | Buttery, Ling, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | SE-54 | OV-101 | OV-101 |
Column length (m) | 60. | 60. | 30. | 12. | 12. |
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.52 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 1. | 1.5 | ||
Tstart (C) | 40. | 40. | 5. | 35. | 35. |
Tend (C) | 200. | 200. | 230. | 225. | 225. |
Heat rate (K/min) | 3. | 3. | 6. | 6. | 6. |
Initial hold (min) | 5. | 5. | 3. | 3. | |
Final hold (min) | 2. | 2. | |||
I | 584. | 593. | 595. | 566. | 560. |
Reference | Kondjoyan, Viallon, et al., 1997 | Kondjoyan, Viallon, et al., 1997 | Milo and Grosch, 1996 | Roberts and Acree, 1996 | Roberts and Acree, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | DB-1 | RTX-5 | RTX-5 | DB-1 |
Column length (m) | 50. | 60. | 30. | 30. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.52 | 0.52 | 0.32 |
Phase thickness (μm) | 0.33 | 1.5 | 1.5 | ||
Tstart (C) | 40. | 30. | 5. | 5. | 30. |
Tend (C) | 200. | 200. | 230. | 230. | 200. |
Heat rate (K/min) | 3. | 4. | 6. | 6. | 4. |
Initial hold (min) | 3. | 25. | 25. | ||
Final hold (min) | 30. | 20. | 20. | ||
I | 569. | 558. | 595. | 595. | 558. |
Reference | Wong and Lai, 1996 | Buttery and Ling, 1995 | Milo and Grosch, 1995 | Milo and Grosch, 1995 | Buttery, Stern, et al., 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | DB-1 | DB-5 | OV-101 | DB-1 |
Column length (m) | 12. | 60. | 60. | 50. | 50. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.52 | 1.0 | 0.25 | 0.5 | |
Tstart (C) | 35. | 40. | 40. | 50. | 0. |
Tend (C) | 225. | 260. | 250. | 250. | 250. |
Heat rate (K/min) | 4. | 2. | 2. | 4. | 3. |
Initial hold (min) | 3. | 5. | 5. | ||
Final hold (min) | 60. | ||||
I | 604. | 568. | 616. | 555. | 561. |
Reference | Roberts and Acree, 1994 | Yu, Wu, et al., 1994 | Lee, Macku, et al., 1991 | Misharina, Golovnya, et al., 1991 | Habu, Flath, et al., 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-101 | SP 2100 |
Column length (m) | 50. | 40. |
Carrier gas | He | Helium |
Substrate | ||
Column diameter (mm) | 0.31 | 0.20 |
Phase thickness (μm) | ||
Tstart (C) | 0. | 40. |
Tend (C) | 225. | 200. |
Heat rate (K/min) | 3. | 10. |
Initial hold (min) | 1. | |
Final hold (min) | ||
I | 570. | 605. |
Reference | del Rosario, de Lumen, et al., 1984 | Labropoulos, Palmer, et al., 1982 |
Comment | MSDC-RI | MSDC-RI |
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.
Majcher, Lawrowski, et al., 2010
Majcher, M.; Lawrowski, P.; Jelen, H.,
Comparison of original and adulterated oscypek cheese based on volatile and sensory profiles,
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Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y.,
GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit,
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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]
Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J.,
Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee,
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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,
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Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E.,
Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals,
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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,
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Fadel, Mageed, et al., 2006, 2
Fadel, H.H.M.; Mageed, M.A.A.; Samad, A.K.M.E.A.; Lotfy, S.N.,
Cocoa substitute: Evaluation of sensory qualities and flavour stability,
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Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J.,
Identification and olfactometry of French fries flavour extracted at mouth conditions,
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Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of genipap (Genipa americana L.) fruit from Cuba,
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Ramírez, Estévez, et al., 2004
Ramírez, M.R.; Estévez, M.; Morcuende, D.; Cava, R.,
Effect of the type of frying culinary fat on volatile compounds isolated in fried pork loin chops by using SPME-GC-MS,
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Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V.,
Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba,
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Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L.,
Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding,
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Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
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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),
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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,
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Joffraud, Leroi, et al., 2001
Joffraud, J.J.; Leroi, F.; Roy, C.; Berdagué, J.L.,
Characterisation of volatile compounds produced by bacteria isolated from the spoilage flora of cold-smoked salmon,
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Kelling, 2001
Kelling, F.J.,
Olfaction in houseflies: morphology and electrophysiology. Chapter 7. Chemical and electrophysiological analysis of components, present in natural products that attract houseflies, Dissertation, University of Groningen, The Netherlands, 2001. [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),
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García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J.,
Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham,
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Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R.,
Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine,
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Tamura, Boonbumrung, et al., 2000
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Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
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Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J.,
Studies on popcorn aroma and flavor volatiles,
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Kondjoyan, Viallon, et al., 1997
Kondjoyan, N.; Viallon, C.; Berdagué, J.L.; Daridan, D.; Simon, M.-N.; Legault, C.,
Analyse comparative de la fraction volatile de jambons secs de porcs Gascon et Large-White x Landrace Français,
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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,
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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,
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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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Buttery and Ling, 1995
Buttery, R.G.; Ling, L.C.,
Volatile flavor components of corn tortillas and related products,
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Milo and Grosch, 1995
Milo, C.; Grosch, W.,
Detection of odor defects in boiled cod and trout by gas chromatography-olfactometry of headspace samples,
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Buttery, Stern, et al., 1994
Buttery, R.G.; Stern, D.J.; Ling, L.C.,
Studies on flavor volatiles of some sweet corn products,
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Roberts and Acree, 1994
Roberts, D.D.; Acree, T.E.,
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Yu, Wu, et al., 1994
Yu, T.-H.; Wu, C.-M.; Ho, C.-T.,
Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliin,
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Lee, Macku, et al., 1991
Lee, S.-R.; Macku, C.; Shibamoto, T.,
Isolation and identification of headspace volatiles formed in heated butter,
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Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V.,
Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae,
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Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
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. [all data]
del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R.,
Comparison of headspace volatiles from winged beans and soybeans,
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Labropoulos, Palmer, et al., 1982
Labropoulos, A.E.; Palmer, J.K.; Tao, P.,
Flavor evaluation and characterization of yogurt as affected by ultra-high temperature and vat processes,
J. Dairy Sci., 1982, 65, 2, 191-196, https://doi.org/10.3168/jds.S0022-0302(82)82176-0
. [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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