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
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Van Den Dool and Kratz 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 | SPB-5 | DB-5MS | DB-5MS | CP-Sil 8CB-MS | HP-5 |
Column length (m) | 60. | 30. | 30. | 0. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 1.05 |
Tstart (C) | 40. | 35. | 35. | 40. | 35. |
Tend (C) | 230. | 225. | 225. | 280. | 220. |
Heat rate (K/min) | 3. | 10. | 10. | 4. | 8. |
Initial hold (min) | 2. | 5. | 5. | 2. | 15. |
Final hold (min) | 10. | 25. | 25. | 5. | 5. |
I | 587. | 600. | 579. | 600. | 593. |
Reference | Engel and Ratel, 2007 | Lozano P.R., Drake M., et al., 2007 | Lozano P.R., Miracle E.R., et al., 2007 | Elmore, Cooper, et al., 2005 | Insausti, Goñi, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | DB-5 | DB-5 | CP-Sil 8CB-MS |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 40. | 40. | 40. |
Tend (C) | 250. | 250. | 200. | 200. | 280. |
Heat rate (K/min) | 4. | 4. | 10. | 10. | 4. |
Initial hold (min) | 5. | 5. | 5. | 5. | 2. |
Final hold (min) | 15. | 15. | 15. | 15. | 5. |
I | 605. | 608. | 623. | 623. | 587. |
Reference | Mahattanatawee, Goodner, et al., 2005 | Mahattanatawee, Goodner, et al., 2005 | Avsar, Karagul-Yuceer, et al., 2004 | Avsar, Karagul-Yuceer, et al., 2004 | Hierro, de la Hoz, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SPB-5 | SPB-5 | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.1 | 0.25 |
Tstart (C) | 40. | 60. | 60. | -30. | 35. |
Tend (C) | 230. | 250. | 250. | 250. | 250. |
Heat rate (K/min) | 5. | 4. | 4. | 10. | 4. |
Initial hold (min) | 4. | 2. | 2. | 1. | 2. |
Final hold (min) | 10. | 20. | 20. | 5. | 4. |
I | 606. | 612. | 612. | 586. | 574. |
Reference | Mahajan, Goddik, et al., 2004 | Pino, Marbot, et al., 2004 | Pino, Marbot, et al., 2004, 2 | Siegmund and Murkovic, 2004 | Peterson and Reineccius, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SPB-5 | CP Sil 8 CB | DB-5 | SPB-5 |
Column length (m) | 30. | 30. | 60. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 35. | 60. | 40. | 35. | 60. |
Tend (C) | 250. | 250. | 250. | 200. | 250. |
Heat rate (K/min) | 4. | 4. | 4. | 10. | 4. |
Initial hold (min) | 2. | 2. | 8. | 5. | 2. |
Final hold (min) | 4. | 20. | 10. | 30. | 20. |
I | 574. | 612. | 616. | 621. | 612. |
Reference | Peterson and Reineccius, 2003, 2 | Pino, Marbot, et al., 2003 | Duckham, Dodson, et al., 2002 | Karagül-Yüceer, Cadwallader, et al., 2002 | Pino, Marbot, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | DB-5MS | CP-Sil 8CB-MS |
Column length (m) | 30. | 30. | 15. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 30. | 40. | 40. |
Tend (C) | 220. | 220. | 225. | 200. | 280. |
Heat rate (K/min) | 10. | 10. | 10. | 3. | 4. |
Initial hold (min) | 5. | 5. | 2. | 5. | 2. |
Final hold (min) | 30. | 30. | 20. | 60. | |
I | 608. | 608. | 582. | 613. | 612. |
Reference | Wu and Cadwallader, 2002 | Wu and Cadwallader, 2002 | Zhou, Wintersteen, et al., 2002 | Baek, Kim, et al., 2001 | Bruna, Hierro, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | DB-5MS | CP Sil 8 CB | CP Sil 8 CB | BPX-5 |
Column length (m) | 30. | 60. | 60. | 50. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 4. | 0.25 | 0.25 | 0.50 | |
Tstart (C) | 45. | 40. | 40. | 60. | 40. |
Tend (C) | 240. | 200. | 280. | 220. | 280. |
Heat rate (K/min) | 5. | 2. | 4. | 4. | 4. |
Initial hold (min) | 13. | 5. | 2. | 5. | |
Final hold (min) | 5. | 30. | 30. | ||
I | 558. | 606. | 595. | 618. | 613. |
Reference | Larráyoz, Addis, et al., 2001 | Lee, Suriyaphan, et al., 2001 | Elmore, Mottram, et al., 2000 | Chevance and Farmer, 1999 | Aaslyng, Elmore, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | RTX-5 | OV-101 | HP-1 | OV-101 |
Column length (m) | 60. | 30. | 50. | 50. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.53 | 0.31 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 1.5 | 0.5 | 1.5 | 0.50 |
Tstart (C) | 40. | 0. | 50. | 40. | 50. |
Tend (C) | 200. | 250. | 250. | 220. | 250. |
Heat rate (K/min) | 3. | 8. | 4. | 2. | 2. |
Initial hold (min) | 5. | 1. | |||
Final hold (min) | 2. | 30. | |||
I | 588. | 595. | 560. | 604. | 586. |
Reference | Verdier-Metz., Coulon, et al., 1998 | Milo and Reineccius, 1997 | Misharina, Golovnya, et al., 1992 | Zhang, Dorjpalam, et al., 1992 | Misharina, Aerove, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | DB-1 | DB-1 |
Column length (m) | 60. | 60. |
Carrier gas | He | He |
Substrate | ||
Column diameter (mm) | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 |
Tstart (C) | 40. | 40. |
Tend (C) | 220. | 220. |
Heat rate (K/min) | 2. | 2. |
Initial hold (min) | ||
Final hold (min) | 10. | 10. |
I | 561. | 561. |
Reference | Zhang and Ho, 1991 | Zhang and Ho, 1991, 2 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Lozano P.R., Drake M., et al., 2007
Lozano P.R.; Drake M.; Benitez D.; Cadwallader K.R.,
Instrumental and sensory characterization of heat-induced odorants in aseptically packaged soy milk,
J. Agric. Food Chem., 2007, 55, 8, 3018-3026, https://doi.org/10.1021/jf0631225
. [all data]
Lozano P.R., Miracle E.R., et al., 2007
Lozano P.R.; Miracle E.R.; Krause A.J.; Drake M.; Cadwallader K.R.,
Effect of cold storage and packaging material on the major aroma components of sweet cream butter,
J. Agric. Food Chem., 2007, 55, 19, 7840-7846, https://doi.org/10.1021/jf071075q
. [all data]
Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D.,
Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb,
Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002
. [all data]
Insausti, Goñi, et al., 2005
Insausti, K.; Goñi, V.; Petri, E.; Gorraiz, C.; Beriain, M.J.,
Effect of weight at slaughter on the volatile compounds of cooked beef from Spanish cattle breeds,
Meat Sci., 2005, 70, 1, 83-90, https://doi.org/10.1016/j.meatsci.2004.12.003
. [all data]
Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A.,
Volatile constituents and character impact compounds of selected Florida's tropical fruit,
Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [all data]
Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R.,
Characterization of nutty flavor in cheddar cheese,
J. Dairy Sci., 2004, 87, 7, 1999-2010, https://doi.org/10.3168/jds.S0022-0302(04)70017-X
. [all data]
Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A.,
Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species,
Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001
. [all data]
Mahajan, Goddik, et al., 2004
Mahajan, S.S.; Goddik, L.; Qian, M.C.,
Aroma Compounds in Sweet Whey Powder,
J. Dairy Sci., 2004, 87, 12, 4057-4063, https://doi.org/10.3168/jds.S0022-0302(04)73547-X
. [all data]
Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C.,
Volatile components of tamarind (Tamarindus indica L.) grown in Cuba,
J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731
. [all data]
Pino, Marbot, et al., 2004, 2
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269
. [all data]
Siegmund and Murkovic, 2004
Siegmund, B.; Murkovic, M.,
Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds),
Food Chem., 2004, 84, 3, 367-374, https://doi.org/10.1016/S0308-8146(03)00241-3
. [all data]
Peterson and Reineccius, 2003
Peterson, D.G.; Reineccius, G.A.,
Characterization of the volatile compounds that constitute fresh sweet cream butter aroma,
Flavour Fragr. J., 2003, 18, 3, 215-220, https://doi.org/10.1002/ffj.1192
. [all data]
Peterson and Reineccius, 2003, 2
Peterson, D.G.; Reineccius, G.A.,
Determination of the aroma impact compounds in heated sweet cream butter,
Flavour Fragr. J., 2003, 18, 4, 320-324, https://doi.org/10.1002/ffj.1228
. [all data]
Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba,
Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187
. [all data]
Duckham, Dodson, et al., 2002
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M.,
Effect of cultivar and storage time on the volatile flavor components of baked potato,
J. Agric. Food Chem., 2002, 50, 20, 5640-5648, https://doi.org/10.1021/jf011326+
. [all data]
Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A.,
Volatile flavor components of stored nonfat dry milk,
J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a
. [all data]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [all data]
Wu and Cadwallader, 2002
Wu, Y.-F.G.; Cadwallader, K.R.,
Characterization of the aroma of a meatlike process flavoring from soybean-based enzyme-hydrolyzed vegetable protein,
J. Agric. Food Chem., 2002, 50, 10, 2900-2907, https://doi.org/10.1021/jf0114076
. [all data]
Zhou, Wintersteen, et al., 2002
Zhou, Q.; Wintersteen, C.L.; Cadwallader, K.R.,
Identification and quantification of aroma-active components that contribute to the distinct malty flavor of buckwheat honey,
J. Agric. Food Chem., 2002, 50, 7, 2016-2021, https://doi.org/10.1021/jf011436g
. [all data]
Baek, Kim, et al., 2001
Baek, H.H.; Kim, C.J.; Ahn, B.H.; Nam, H.S.; Cadwallader, K.R.,
Aroma extract dilution analysis of a beeflike process flavor from extruded enzyme-hydrolyzed soybean protein,
J. Agric. Food Chem., 2001, 49, 2, 790-793, https://doi.org/10.1021/jf000609j
. [all data]
Bruna, Hierro, et al., 2001
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A.,
The contribution of Penicillium aurantiogriseum to the volatile composition and sensory quality of dry fermented sausages,
Meat Sci., 2001, 59, 1, 97-107, https://doi.org/10.1016/S0309-1740(01)00058-4
. [all data]
Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O.,
Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses,
Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3
. [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]
Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Hierro, E.,
Two-fibre solid-phase microextraction combined with gas chromatography-mass spectrometry for the analysis of volatile aroma compounds in cooked pork,
J. Chromatogr. A, 2000, 905, 1-2, 233-240, https://doi.org/10.1016/S0021-9673(00)00990-0
. [all data]
Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J.,
Identification of major volatile odor compounds in frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d
. [all data]
Aaslyng, Elmore, et al., 1998
Aaslyng, M.D.; Elmore, J.S.; Mottram, D.S.,
Comparison of the aroma characteristics of acid-hydrolyzed and enzyme-hydrolyzed vegetable proteins produced from soy,
J. Agric. Food Chem., 1998, 46, 12, 5225-5231, https://doi.org/10.1021/jf9806816
. [all data]
Verdier-Metz., Coulon, et al., 1998
Verdier-Metz., I.; Coulon, J.-B.; PPradel, P.; Viallon, C.; Berdague, J.-L.,
Effect of forage conservation (hay or silage) and cow breed on the coagulation properties of milks and on the characteristics of ripened cheeses,
J. Dairy Res., 1998, 65, 1, 9-21, https://doi.org/10.1017/S0022029997002616
. [all data]
Milo and Reineccius, 1997
Milo, C.; Reineccius, G.A.,
Identification and quantification of potent odorants in regular-fat and low-fat mild cheddar cheese,
J. Agric. Food Chem., 1997, 45, 9, 3590-3594, https://doi.org/10.1021/jf970152m
. [all data]
Misharina, Golovnya, et al., 1992
Misharina, T.A.; Golovnya, R.V.; Artamonova, M.P.; Zhuravskaya, N.K.,
Identification of volatile components of a model system with meat aroma,
Zh. Anal. Khim., 1992, 47, 850-857. [all data]
Zhang, Dorjpalam, et al., 1992
Zhang, Y.; Dorjpalam, B.; Ho, C.-T.,
Contribution of peptides to volatile formation in the Maillard reaction of casein hydrolysate with glucose,
J. Agric. Food Chem., 1992, 40, 12, 2467-2471, https://doi.org/10.1021/jf00024a026
. [all data]
Misharina, Aerove, et al., 1991
Misharina, T.A.; Aerove, A.F.; Golovnya, R.E.; Kalugina, V.I.; Rogovskaya, L.V.; Vysotskaya, L.E.; Shevtsov, V.K.,
Identification of volatile components of an aromatizer with a chicken odor by chromatography-mass spectrometry and chromatography-fourier transform infrared spectroscopy,
J. Anal. Chem. USSR (Engl. Transl.), 1991, 8, 1187-1193. [all data]
Zhang and Ho, 1991
Zhang, Y.; Ho, C.-T.,
Formation of meatlike aroma compounds from thermal reaction of inosine 5'-monophosphate with cysteine and glutathione,
J. Agric. Food Chem., 1991, 39, 6, 1145-1148, https://doi.org/10.1021/jf00006a031
. [all data]
Zhang and Ho, 1991, 2
Zhang, Y.; Ho, C.-T.,
Comparison of the volatile compounds formed from the thermal reaction of glucose with cysteine and glutathione,
J. Agric. Food Chem., 1991, 39, 4, 760-763, https://doi.org/10.1021/jf00004a029
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.