2,3-Pentanedione
- Formula: C5H8O2
- Molecular weight: 100.1158
- IUPAC Standard InChIKey: TZMFJUDUGYTVRY-UHFFFAOYSA-N
- CAS Registry Number: 600-14-6
- 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: Acetylpropionyl; 2,3-Pentadione; CH3C(O)C(O)C2H5; Pentan-2,3-dione; Pentane-2,3-dione; 2,3-Pentandione
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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 | ZB-5 | HP-5 MS | SLB-5MS | DB-5 |
Column length (m) | 25. | 30. | 30. | 10. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.18 | 0.32 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.18 | |
Tstart (C) | 40. | 40. | 35. | 40. | 50. |
Tend (C) | 250. | 280. | 195. | 295. | 250. |
Heat rate (K/min) | 10. | 6. | 2. | 10. | 4. |
Initial hold (min) | 1. | 1. | 5. | 1.5 | 5. |
Final hold (min) | 9. | 30. | |||
I | 696. | 700. | 696. | 697. | 720. |
Reference | Majcher, Lawrowski, et al., 2010 | Harrison and Priest, 2009 | Kim and Chung, 2009 | Risticevic, Carasek, et al., 2008 | Fadel, Mageed, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | MDN-5 | MDN-5 | SPB-5 | HP-1 | DB-5 |
Column length (m) | 60. | 60. | 30. | 50. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
Tstart (C) | 40. | 40. | 60. | 60. | 35. |
Tend (C) | 270. | 270. | 250. | 250. | 280. |
Heat rate (K/min) | 4. | 4. | 4. | 2. | 5. |
Initial hold (min) | 4. | 4. | 2. | 2. | |
Final hold (min) | 5. | 5. | 20. | 10. | 4. |
I | 698. | 700. | 700. | 665. | 714. |
Reference | van Loon, Linssen, et al., 2005 | van Loon, Linssen, et al., 2005 | Pino, Marbot, et al., 2005 | Antoniotti, Alezra, et al., 2004 | Dhanda, Pegg, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | RSL-200 | HP-5 | OV-101 |
Column length (m) | 30. | 60. | 30. | 60. | 50. |
Carrier gas | H2 | He | H2 | He | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 1. | |
Tstart (C) | 60. | 40. | 40. | 40. | 40. |
Tend (C) | 280. | 200. | 280. | 240. | 200. |
Heat rate (K/min) | 4. | 3. | 6. | 3. | 2. |
Initial hold (min) | 10. | 5. | 5. | 10. | |
Final hold (min) | 40. | 5. | |||
I | 700. | 690. | 663. | 694. | 680. |
Reference | Pino, Marbot, et al., 2003 | Joffraud, Leroi, et al., 2001 | Ngassoum, Jirovetz, et al., 2001 | García, Martín, et al., 2000 | Tamura, Boonbumrung, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | DB-5 MS | DB-1 | DB-1 |
Column length (m) | 60. | 60. | 60. | 60. | |
Carrier gas | He | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 1.0 | |
Tstart (C) | 40. | 34. | 40. | 40. | 30. |
Tend (C) | 260. | 200. | 200. | 260. | 200. |
Heat rate (K/min) | 2. | 5. | 3. | 3. | 4. |
Initial hold (min) | 3. | 5. | 25. | ||
Final hold (min) | 10. | 30. | 20. | ||
I | 668. | 700. | 709. | 672. | 664. |
Reference | Chen and Ho, 1999 | Schlüter, Steinhart, et al., 1999 | Suriyaphan, Drake, et al., 1999 | Chen and Ho, 1998 | 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 | SE-54 | SE-54 | RTX-5 | DB-1 | DB-1 |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.52 | 0.52 | 0.52 | 0.32 | 0.25 |
Phase thickness (μm) | 1.5 | 1.5 | 1.5 | 1.0 | |
Tstart (C) | 5. | 5. | 5. | 30. | 40. |
Tend (C) | 230. | 230. | 230. | 200. | 260. |
Heat rate (K/min) | 6. | 6. | 6. | 4. | 2. |
Initial hold (min) | 25. | 5. | |||
Final hold (min) | 20. | 60. | |||
I | 700. | 700. | 700. | 664. | 673. |
Reference | Milo and Grosch, 1996 | Milo and Grosch, 1996 | Milo and Grosch, 1995 | Buttery, Stern, et al., 1994 | Yu, Wu, et al., 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB-1 | DB-1 | OV-101 |
Column length (m) | 60. | 30. | 30. | 60. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 1.0 | 0.25 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 40. | 50. | 50. | 60. | 50. |
Tend (C) | 260. | 240. | 240. | 220. | 250. |
Heat rate (K/min) | 2. | 5. | 5. | 3. | 4. |
Initial hold (min) | 5. | 3. | 3. | ||
Final hold (min) | 60. | ||||
I | 674. | 651. | 652. | 673. | 663. |
Reference | Yu, Wu, et al., 1994 | Shiota, 1993 | Shiota, 1993 | Güntert, Bertram, et al., 1992 | Misharina, Golovnya, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | OV-1 | DB-1 | OV-101 |
Column length (m) | 50. | 50. | 50. |
Carrier gas | Hydrogen | He | |
Substrate | |||
Column diameter (mm) | 0.20 | 0.32 | 0.31 |
Phase thickness (μm) | |||
Tstart (C) | 50. | 0. | 0. |
Tend (C) | 200. | 250. | 225. |
Heat rate (K/min) | 1. | 3. | 3. |
Initial hold (min) | 1. | ||
Final hold (min) | 35. | ||
I | 681. | 673. | 676. |
Reference | Wu, Liou, et al., 1987 | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 |
Comment | MSDC-RI | 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,
Acta Sci. Pol. Technol. Aliment., 2010, 9, 3, 265-275. [all data]
Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G.,
Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth,
J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y
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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,
J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088
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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,
Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009
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Fadel, Mageed, et al., 2006
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,
Eur. Food Res. Technol., 2006, 223, 1, 125-131, https://doi.org/10.1007/s00217-005-0162-3
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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,
Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005
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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,
Flavour Fragr. J., 2005, 20, 6, 583-586, https://doi.org/10.1002/ffj.1491
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Antoniotti, Alezra, et al., 2004
Antoniotti, S.; Alezra, N.; Fernandez, X.; Duñach, E.,
Catalytic epoxide oxidation: a novel access to flavouring and odorant α-diketones,
Flavour Fragr. J., 2004, 19, 5, 373-381, https://doi.org/10.1002/ffj.1371
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Dhanda, Pegg, et al., 2003
Dhanda, J.S.; Pegg, R.B.; Shand, P.J.,
Saskatchewan specialty livestock value-added program - Saskatchewan agri-food innovation fund (AFIF) Project #98000016, 2003, retrieved from http://www.agr.gov.sk.ca/afif/Projects/19980016.pdf. [all data]
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,
J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y
. [all data]
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
. [all data]
Ngassoum, Jirovetz, et al., 2001
Ngassoum, M.B.; Jirovetz, L.; Buchbauer, G.,
SPME/GC/MS analysis of headspace aroma compounds of the Cameroonian fruit Tetrapleura tetraptera (Thonn.) Taub.,
Eur. Food Res. Technol., 2001, 213, 1, 18-21, https://doi.org/10.1007/s002170100330
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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,
Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x
. [all data]
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
. [all data]
Chen and Ho, 1999
Chen, J.; Ho, C.-T.,
Comparison of volatile generation in serine/threonine/glutamine-ribose/glucose/fructose model systems,
J. Agric. Food Chem., 1999, 47, 2, 643-647, https://doi.org/10.1021/jf980771a
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Schlüter, Steinhart, et al., 1999
Schlüter, S.; Steinhart, H.; Schwarz, F.J.; Kirchgessner, M.,
Changes in the odorants of boiled carp fillet (Cyprinus carpio L.) as affected by increasing methionine levels in feed,
J. Agric. Food Chem., 1999, 47, 12, 5146-5150, https://doi.org/10.1021/jf9902604
. [all data]
Suriyaphan, Drake, et al., 1999
Suriyaphan, O.; Drake, M.A.; Cadwallader, K.R.,
Identification of volatile off-flavors in reduced-fat cheddar cheeses containing lecitin,
Lebensm.-Wiss. u. Technol., 1999, 32, 5, 250-254, https://doi.org/10.1006/fstl.1999.0543
. [all data]
Chen and Ho, 1998
Chen, J.; Ho, C.-T.,
Volatile compounds formed from thermal degradation of glucosamine in a dry system,
J. Agric. Food Chem., 1998, 46, 5, 1971-1974, https://doi.org/10.1021/jf971021o
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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,
J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807
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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,
J. Agric. Food Chem., 1996, 44, 8, 2366-2371, https://doi.org/10.1021/jf9507203
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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,
J. Agric. Food Chem., 1995, 43, 2, 459-462, https://doi.org/10.1021/jf00050a038
. [all data]
Buttery, Stern, et al., 1994
Buttery, R.G.; Stern, D.J.; Ling, L.C.,
Studies on flavor volatiles of some sweet corn products,
J. Agric. Food Chem., 1994, 42, 3, 791-795, https://doi.org/10.1021/jf00039a038
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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,
J. Agric. Food Chem., 1994, 42, 4, 1005-1009, https://doi.org/10.1021/jf00040a032
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Shiota, 1993
Shiota, H.,
New esteric components in the volatiles of banana fruit (Musa sapientum L.),
J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046
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Güntert, Bertram, et al., 1992
Güntert, M.; Bertram, H.-J.; Hopp, R.; Silberzahn, W.; Sommer, H.; Werkhoff, P.,
Thermal generation of flavor compounds from thiamin and various amino acids
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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,
Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]
Wu, Liou, et al., 1987
Wu, C.-M.; Liou, S.-E.; Chang, Y.-H.; Chiang, W.,
Volatile compounds of the wax gourd (Benincasa hispida, Cogn) and a wax gourd beverage,
J. Food Sci., 1987, 52, 1, 132-134, https://doi.org/10.1111/j.1365-2621.1987.tb13988.x
. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [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,
J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015
. [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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