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, polar column, custom temperature program
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-Wax | DB-Wax | SOLGel-Wax | CP-Wax 52 CB | HP-Innowax |
Column length (m) | 30. | 30. | 30. | 60. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | not specified | 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) | not specified | 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min) |
I | 1000. | 975. | 965. | 987. | 987. |
Reference | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Johanningsmeier and McFeeters, 2011 | Povolo, Cabassi, et al., 2011 | Xiao, Dai, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Supelcowax-10 | Supelcowax 10 |
Column length (m) | 30. | 30. | 30. | 50. | 50. |
Carrier gas | Hydrogen | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.50 | 0.50 | 0.25 | 0.25 | 0.25 |
Program | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (40 min) | not specified | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
I | 957. | 957. | 960. | 975. | 975. |
Reference | San-Juan, Petka, et al., 2010 | Ferreira, Juan, et al., 2009 | Rochat, Egger, et al., 2009 | Soria, Martinez-Castro, et al., 2009 | Soria, Martinez-Castro, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax 10 | Supelcowax-10 | Supelcowax-10 | DB-FFAP | DB-FFAP |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) |
I | 975. | 986. | 988. | 981. | 970. |
Reference | Soria, Martinez-Castro, et al., 2008 | Berard, Bianchi, et al., 2007 | Berard, Bianchi, et al., 2007 | Buettner, 2007 | Buettner, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-FFAP | DB-Wax | DB-Wax | DB-FFAP | DB-Wax Etr |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | Hydrogen | Hydrogen | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
Program | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) | 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C | not specified | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min) | 40C(3min) => 10C/min => 90C => 2C/min => 230C (37min) |
I | 991. | 979. | 963. | 993. | 995. |
Reference | Carrapiso and Garsia, 2007 | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Lasekan, Buettner, et al., 2007 | Loskos, Hernandez-Orte, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-Innowax | HP-Innowax | Supelcowax-10 | CP-Wax 58CB |
Column length (m) | 30. | 60. | 60. | 60. | 25. |
Carrier gas | He | Helium | Helium | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.20 |
Program | 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) | 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) | not specified | 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min) | 40 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min) |
I | 941. | 977. | 976. | 935. | 966. |
Reference | Tian, Zhang, et al., 2007 | Viegas and Bassoli, 2007 | Viegas and Bassoli, 2007 | Kourkoutas, Kandylis, et al., 2006 | Tokitomo, Steihaus, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | DB-FFAP | DB-FFAP | FFAP | Carbowax 20M |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 40C (2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | 35C(1min) => 60C/min => 60C => 6C/min => 230C | not specified |
I | 970. | 970. | 981. | 984. | 963. |
Reference | Buettner and Welle, 2004 | Buettner, 2004 | Buettner, 2004 | Didzbalis, Ritter, et al., 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | CP-WAX 57CB | DB-Wax | DB-Wax | DB-FFAP |
Column length (m) | 60. | 50. | 60. | 30. | |
Carrier gas | He | He | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.3 | |
Phase thickness (μm) | 0.25 | 0.2 | 0.5 | 0.25 | |
Program | not specified | 40C(10min) => 5C/min => 100C => 3C/min => 180C => 20C/min => 210C (10min) | not specified | 35C(4min) => 2C/min => 130C => 4C/min => 250C | 35C (1min) => 40C/min => 60C (5min) => 4C/min => 220C |
I | 985. | 980. | 979. | 970. | 968. |
Reference | Baek and Cadwallader, 2003 | Martí, Mestres, et al., 2003 | Peterson and Reineccius, 2003 | Qian and Reineccius, 2003 | Triqui and Bouchriti, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | FFAP | FFAP | DB-FFAP | DB-FFAP |
Column length (m) | 30. | 30. | 25. | 30. | 30. |
Carrier gas | Helium | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 50 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 180 0C (10 min) | 50 0C (2 min) 6 oC/min -> 180 0C 10 0C/min -> 240 0C (10 min) | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 230C | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) |
I | 990. | 990. | 976. | 967. | 967. |
Reference | Bel Rhild, Fleury, et al., 2002 | Bel Rhild, Fleury, et al., 2002, 2 | Zehentbauer and Grosch, 1998 | Guth, 1997 | Guth, 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | FFAP | FFAP | CP-Wax 52CB | CP-Wax 52CB |
Column length (m) | 30. | 30. | 30. | 50. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 1.5 | 1.5 | |
Program | 35C => 40C/min => 60C (1min) => 6C/min => 250C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 40C => 2C/min => 150C => 10C/min => 250C | 40C => 2C/min => 150C => 10C/min => 250C |
I | 981. | 984. | 984. | 962. | 962. |
Reference | Lizárraga-Guerra, Guth, et al., 1997 | Schermann and Schieberle, 1997 | Schermann and Schieberle, 1997 | Luning, de Rijk, et al., 1994 | Luning, de Rijk, et al., 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | FFAP | DB-Wax | FFAP | Carbowax 20M |
Column length (m) | 30. | 30. | |||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | |||
Phase thickness (μm) | 0.5 | ||||
Program | 35C => 40C/min => 60C(2min) => 4C/min => 240C | not specified | 35C => 40C/min => 50C(2min) => 6C/min => 200C | not specified | not specified |
I | 980. | 967. | 980. | 990. | 963. |
Reference | Schieberle and Grosch, 1994 | Guth and Grosch, 1993 | Milo and Grosch, 1993 | Blank, Sen, et al., 1992 | Shibamoto, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. |
Column length (m) | 50. | 50. |
Carrier gas | Hydrogen | Hydrogen |
Substrate | ||
Column diameter (mm) | 0.32 | 0.32 |
Phase thickness (μm) | ||
Program | not specified | not specified |
I | 949. | 972. |
Reference | Waggott and Davies, 1984 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
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Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS),
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Study on the use of evolved gas analysis FT-IR (EGA FT-IR) for the evaluation of cheese volatile fraction,
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Some aspects of dynamic headspace analysis of volatile components in honey,
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Peterson and Reineccius, 2003
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Triqui and Bouchriti, 2003
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Freshness assessments of Moroccan sardine (Sardina pilchardus): comparison of overall sensory changes to instrumentally determined volatiles,
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Bel Rhild, Fleury, et al., 2002
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Bel Rhild, Fleury, et al., 2002, 2
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Generation of roasted notes based on 2-acetyl-2-thiazolidine and its precursor, 2-(1-hydroxyethyl)-4,5-dihydrothiazoline, by combined bio and thermal approaches,
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Zehentbauer, G.; Grosch, W.,
Crust aroma of baguettes. I. Key odorants of baguettes prepared in two different ways,
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Guth, H.,
Identification of character impact odorants of different white wine varieties,
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Identification of the most potent odorants in huitlacoche (Ustilago maydis) and austern pilzen (Pleurotus sp.) by aroma extract dilution analysis and static head-space samples,
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Schermann and Schieberle, 1997
Schermann, P.; Schieberle, P.,
Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses,
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. [all data]
Luning, de Rijk, et al., 1994
Luning, P.A.; de Rijk, T.; Wichers, H.J.; Roozen, J.P.,
Gas chromatography, mass spectrometry, and sniffing port analyses of volatile compounds of fresh bell peppers (Capsicum annuum) at different ripening stages,
J. Agric. Food Chem., 1994, 42, 4, 977-983, https://doi.org/10.1021/jf00040a027
. [all data]
Schieberle and Grosch, 1994
Schieberle, P.; Grosch, W.,
Potent odorants of rye bread crust - differences from the crumb and from wheat bread crust,
Z. Lebensm. Unters. Forsch., 1994, 198, 4, 292-296, https://doi.org/10.1007/BF01193177
. [all data]
Guth and Grosch, 1993
Guth, H.; Grosch, W.,
12-Methyltridecanal, a species-specific odorant of stewed beef,
Lebensm. Wiss. Technol., 1993, 26, 2, 171-177, https://doi.org/10.1006/fstl.1993.1035
. [all data]
Milo and Grosch, 1993
Milo, C.; Grosch, W.,
Changes in the odorants of boiled trout (Salmo fario) as affected by the storage of the raw material,
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. [all data]
Blank, Sen, et al., 1992
Blank, I.; Sen, A.; Grosch, W.,
Potent odorants of the roasted powder and brew of Arabica coffee,
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. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
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Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
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