2-Butanone
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChIKey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N
- CAS Registry Number: 78-93-3
- 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: Butan-2-one; Butanone; Ethyl methyl ketone; Ketone, methyl ethyl; Methyl ethyl ketone; MEK; C2H5COCH3; Acetone, methyl-; Aethylmethylketon; 3-Butanone; Butanone 2; Ethyl methyl cetone; Ethylmethylketon; Ketone, ethyl methyl; Meetco; Methyl acetone; Metiletilchetone; Metyloetyloketon; Rcra waste number U159; UN 1193; 2-Oxobutane; 2-Butanal; 2-butanone (MEK; methyl ethyl ketone); 2-butanone (MEK)
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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 | Polydimethyl siloxane: CP-Sil 5 CB | HP-5 MS | VF-5 MS | VF-5 MS | OV-101 |
Column length (m) | 60. | 30. | 60. | 60. | 25. |
Carrier gas | Helium | Helium | Helium | Helium | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.20 |
Phase thickness (μm) | 1.0 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 35. | 30. | 30. | 40. |
Tend (C) | 210. | 300. | 260. | 260. | 240. |
Heat rate (K/min) | 3.6 | 3. | 2. | 2. | 6. |
Initial hold (min) | 1.45 | 5. | |||
Final hold (min) | 2.72 | 15. | 28. | 28. | |
I | 573. | 602. | 592. | 592. | 578. |
Reference | Bramston-Cook, 2013 | Kotowska, Zalikowski, et al., 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Zenkevich, Eliseenkov, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | 5 % Phenyl methyl siloxane | SPB-5 | SPB-5 | HP-5 |
Column length (m) | 25. | 30. | 60. | 60. | 30. |
Carrier gas | Nitrogen | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 1. | 1. | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 35. |
Tend (C) | 240. | 250. | 230. | 230. | 200. |
Heat rate (K/min) | 6. | 7. | 3. | 3. | 3. |
Initial hold (min) | 10. | 5. | 5. | 5. | |
Final hold (min) | 5. | 5. | 5. | ||
I | 578. | 600. | 598. | 598. | 591. |
Reference | Zenkevich, Eliseenkov, et al., 2011 | Ramirez R. and Cava R., 2007 | Vasta, Ratel, et al., 2007 | Vasta, Ratel, et al., 2007 | Isidorov, Purzynska, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | MDN-5 | 5 % Phenyl methyl siloxane | DB-5 | HP-5 |
Column length (m) | 60. | 60. | 0. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 1. | 1. |
Tstart (C) | 30. | 40. | 40. | 40. | 40. |
Tend (C) | 260. | 270. | 250. | 200. | 240. |
Heat rate (K/min) | 2. | 4. | 7. | 3. | 3. |
Initial hold (min) | 2. | 4. | 10. | 5. | |
Final hold (min) | 28. | 5. | 5. | ||
I | 601.8 | 589. | 597. | 600. | 600. |
Reference | Leffingwell and Alford, 2005 | van Loon, Linssen, et al., 2005 | Ramírez, Estévez, et al., 2004 | Joffraud, Leroi, et al., 2001 | García, Martín, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | OV-101 | Methyl Silicone | SE-54 | DB-1 |
Column length (m) | 50. | 50. | 60. | 25. | 30. |
Carrier gas | He | Nitrogen | He | ||
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.31 | 0.32 |
Phase thickness (μm) | 0.75 | 0.25 | 0.5 | ||
Tstart (C) | 50. | 40. | 40. | 35. | 35. |
Tend (C) | 200. | 200. | 220. | 250. | 200. |
Heat rate (K/min) | 5. | 2. | 5. | 4. | 10. |
Initial hold (min) | 10. | 10. | 3. | 1. | |
Final hold (min) | |||||
I | 571. | 569. | 570.06 | 604. | 575. |
Reference | Health Safety Executive, 2000 | Tamura, Boonbumrung, et al., 2000 | Baraldi, Rapparini, et al., 1999 | Ding, Deng, et al., 1998 | Robacker and Bartelt, 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | HP-5 | DB-1 | DB-1 | DB-5 |
Column length (m) | 25. | 60. | 60. | 60. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.5 | 1. | 1.2 | ||
Tstart (C) | 35. | 35. | 40. | 30. | 40. |
Tend (C) | 250. | 200. | 260. | 240. | 160. |
Heat rate (K/min) | 5. | 6. | 2. | 3. | 2. |
Initial hold (min) | 2. | 2. | 5. | 10. | 5. |
Final hold (min) | 60. | ||||
I | 613. | 603. | 564. | 576. | 592. |
Reference | Bellesia, Pinetti, et al., 1996 | Larsen and Frisvad, 1995 | Yu and Ho, 1995 | Ciccioli, Cecinato, et al., 1992 | Macku and Shibamoto, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | OV-101 | SF96+Igepal | SF96+Igepal | SE-30 |
Column length (m) | 50. | 50. | 213. | 213. | |
Carrier gas | He | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.31 | 0.7 | 0.7 | |
Phase thickness (μm) | |||||
Tstart (C) | 0. | 0. | 45. | 45. | 70. |
Tend (C) | 250. | 225. | 200. | 200. | 170. |
Heat rate (K/min) | 3. | 3. | 2. | 2. | 2. |
Initial hold (min) | 1. | 30. | 30. | ||
Final hold (min) | |||||
I | 570. | 572. | 575. | 577. | 580. |
Reference | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 | Lorenz, Stern, et al., 1983 | Lorenz, Stern, et al., 1983 | Alves and Jennings, 1979 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | SF-96 |
Column length (m) | 111. |
Carrier gas | Nitrogen |
Substrate | |
Column diameter (mm) | 0.76 |
Phase thickness (μm) | |
Tstart (C) | |
Tend (C) | 130. |
Heat rate (K/min) | 3. |
Initial hold (min) | 8. |
Final hold (min) | 40. |
I | 580. |
Reference | Donetzhuber, Johansson, et al., 1976 |
Comment | 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.
Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
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Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Zenkevich, Eliseenkov, et al., 2011
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N.; Zhakovskaya, Z.A.; Khoroshko, L.O.,
Gas chromatographic identification of chlorination products of aliphatic ketones,
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Ramirez R. and Cava R., 2007
Ramirez R.; Cava R.,
Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes,
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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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Isidorov, Purzynska, et al., 2006
Isidorov, V.; Purzynska, A.; Modzelewska, A.; Serowiecka, M.,
Distribution coefficients of aliphatic alcohols, carbonyl compounds and esters between air and Carboxen/polydimethylsiloxane fiber coating,
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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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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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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,
Int. J. Food Microbiol., 2001, 66, 3, 175-184, https://doi.org/10.1016/S0168-1605(00)00532-8
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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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Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
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Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
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Baraldi, Rapparini, et al., 1999
Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P.,
Volatile organic compound emissions from flowers of the most occurring and economically important species of fruit trees,
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Ding, Deng, et al., 1998
Ding, Q.; Deng, Y.; Sun, Y.; Huagn, A.; Sun, Y.,
Analysis of volatile components in ox feces by capillary gas chromatography,
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Robacker and Bartelt, 1997
Robacker, D.C.; Bartelt, R.J.,
Chemicals attractive to Mexican fruit fly from Klebsiella pneumoniae and Citrobacter freundii cultures sampled by solid-phase microextraction MICROEXTRACTION,
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Bellesia, Pinetti, et al., 1996
Bellesia, F.; Pinetti, A.; Bianchi, A.; Tirillini, B.,
Volatile compounds of the white truffle (Tuber magnaturn Pico) from middle Italy,
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Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C.,
Characterization of volatile metabolites from 47 Penicillium taxa,
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Yu and Ho, 1995
Yu, T.-H.; Ho, C.-T.,
Volatile compounds generated from thermal reaction of methionine and methionine sulfoxide with or without glucose,
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Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
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Macku and Shibamoto, 1991
Macku, C.; Shibamoto, T.,
Headspace volatile compounds formed from heated corn oil and corn oil with glycine,
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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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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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Lorenz, Stern, et al., 1983
Lorenz, G.; Stern, D.J.; Flath, R.A.; Haddon, W.F.; Tillin, S.J.; Teranishi, R.,
Identification of sheep liver volatiles,
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Alves and Jennings, 1979
Alves, S.; Jennings, W.G.,
Volatile composition of certain Amazonian fruits,
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Donetzhuber, Johansson, et al., 1976
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Gas phase characterization of wood, pulp, and paper,
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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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