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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Van Den Dool and Kratz RI, 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-FFAP | FFAP | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.5 | 0.5 |
Tstart (C) | 35. | 35. | 40. | 40. | 40. |
Tend (C) | 225. | 225. | 250. | 240. | 240. |
Heat rate (K/min) | 4. | 10. | 4. | 5. | 5. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | 30. | 25. | 15. | 10. | 10. |
I | 1068. | 1085. | 1056. | 1058. | 1058. |
Reference | Jarunrattanasri, Theerakulkait, et al., 2007 | Lozano P.R., Drake M., et al., 2007 | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | Lopez-Galilea I., Fournier N., et al., 2006 | Lopez-Galilea I., Fournier N., et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB | OV-351 | Supelcowax-10 |
Column length (m) | 50. | 50. | 60. | 50. | 60. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.2 | 0.25 | ||
Tstart (C) | 60. | 60. | 35. | 60. | 40. |
Tend (C) | 220. | 220. | 203. | 220. | 280. |
Heat rate (K/min) | 4. | 4. | 3. | 5. | 4. |
Initial hold (min) | 5. | 5. | 4. | 2. | |
Final hold (min) | 30. | 30. | |||
I | 1053. | 1049. | 1056. | 1042. | 1064. |
Reference | Mahadevan and Farmer, 2006 | Mahadevan and Farmer, 2006 | Alasalvar, Taylor, et al., 2005 | Bonvehí, 2005 | Elmore, Nisyrios, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-351 | AT-Wax | Supelcowax-10 | Supelcowax-10 | CP-Wax 52CB |
Column length (m) | 50. | 60. | 60. | 60. | 50. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 65. | 35. | 35. | 50. |
Tend (C) | 220. | 250. | 195. | 195. | 200. |
Heat rate (K/min) | 5. | 2. | 2. | 2. | 2. |
Initial hold (min) | 10. | 5. | 5. | ||
Final hold (min) | 60. | 90. | 90. | ||
I | 1042. | 1038. | 1065. | 1065. | 1048. |
Reference | Bonvehi and Coll, 2003 | Pino, Almora, et al., 2003 | Chung, Yung, et al., 2002 | Chung, Yung, et al., 2001 | Liu, Yang, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | DB-Wax | CP-Wax 52CB | Supelcowax-10 | FFAP |
Column length (m) | 60. | 60. | 50. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.5 | |
Tstart (C) | 35. | 40. | 60. | 35. | 50. |
Tend (C) | 195. | 250. | 220. | 195. | 230. |
Heat rate (K/min) | 2. | 3. | 4. | 2. | 5. |
Initial hold (min) | 5. | 5. | 5. | 3. | |
Final hold (min) | 90. | 10. | 30. | 90. | 15. |
I | 1066. | 1066. | 1063. | 1065. | 1076. |
Reference | Chung, 2000 | le Guen, Prost, et al., 2000 | Chevance and Farmer, 1999 | Chung, 1999 | Stephan and Steinhart, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | FFAP | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 60. | 60. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.53 | 0.53 | 0.53 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 1. | 1. |
Tstart (C) | 40. | 20. | 20. | 20. | 20. |
Tend (C) | 200. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 3. | 4. | 4. | 4. | 4. |
Initial hold (min) | 5. | 1. | 5. | 5. | 5. |
Final hold (min) | 60. | 1. | 10. | 10. | 10. |
I | 1055. | 1076. | 1082. | 1082. | 1082. |
Reference | Cha, Kim, et al., 1998 | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 60. | 60. | 60. | 60. | 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) | 230. | 230. | 195. | 175. | 175. |
Heat rate (K/min) | 3. | 2. | 2. | 2. | 2. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | 40. | 20. | 20. | ||
I | 1080. | 1056. | 1058. | 1064. | 1068. |
Reference | Shimoda, Peralta, et al., 1996 | Shimoda, Shigematsu, et al., 1995 | Chung and Cadwallader, 1993 | Tanchotikul and Hsieh, 1989 | Tanchotikul and Hsieh, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | CP-WAX 57CB | CP-WAX 57CB | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 50. | 50. | 60. | 60. |
Carrier gas | He | |||
Substrate | ||||
Column diameter (mm) | 0.24 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | ||
Tstart (C) | 50. | 60. | 40. | 40. |
Tend (C) | 210. | 200. | 175. | 175. |
Heat rate (K/min) | 2. | 4. | 2. | 2. |
Initial hold (min) | 5. | 5. | 5. | 5. |
Final hold (min) | 20. | 20. | ||
I | 1040. | 1055. | 1064. | 1068. |
Reference | Baltes and Mevissen, 1988 | Salter L.J., Mottram D.S., et al., 1988 | Vejaphan, Hsieh, et al., 1988 | Vejaphan, Hsieh, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R.,
Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein,
J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474
. [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]
Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N.,
Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes,
J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y
. [all data]
Lopez-Galilea I., Fournier N., et al., 2006
Lopez-Galilea I.; Fournier N.; Cid C.; Guichard E.,
Changes in headspace volatile concentrations of coffee brews caused by the roasting process and the brewing procedure,
J. Agric. Food Chem., 2006, 54, 22, 8560-8566, https://doi.org/10.1021/jf061178t
. [all data]
Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x
. [all data]
Alasalvar, Taylor, et al., 2005
Alasalvar, C.; Taylor, K.D.A.; Shahidi, F.,
Comparison of volatiles of cultured and wild sea bream (Sparus aurata) during storage in ice by dynamic headspace analysis/gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2005, 53, 7, 2616-2622, https://doi.org/10.1021/jf0483826
. [all data]
Bonvehí, 2005
Bonvehí, J.S.,
Investigation of aromatic compounds in roasted cocoa powder,
Eur. Food Res. Technol., 2005, 221, 1-2, 19-29, https://doi.org/10.1007/s00217-005-1147-y
. [all data]
Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S.,
Analysis of the headspace aroma compounds of walnuts (Juglans regia L.),
Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477
. [all data]
Bonvehi and Coll, 2003
Bonvehi, J.S.; Coll, F.V.,
Flavour index and aroma profiles of fresh and processed honeys,
J. Sci. Food Agric., 2003, 83, 4, 275-282, https://doi.org/10.1002/jsfa.1308
. [all data]
Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248
. [all data]
Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S.,
Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry,
Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7
. [all data]
Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S.,
Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods,
J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a
. [all data]
Liu, Yang, et al., 2001
Liu, T.-T.; Yang, T.-S.; Wu, C.-M.,
Changes of volatiles in soy sauce-stewed pork during cold storage and reheating,
J. Sci. Food Agric., 2001, 81, 15, 1547-1552, https://doi.org/10.1002/jsfa.978
. [all data]
Chung, 2000
Chung, H.Y.,
Volatile flavor components in red fermented soybean (Glycine max) curds,
J. Agric. Food Chem., 2000, 48, 5, 1803-1809, https://doi.org/10.1021/jf991272s
. [all data]
le Guen, Prost, et al., 2000
le Guen, S.; Prost, C.; Demaimay, M.,
Critical comparison of three olfactometric methods for the identification of the most potent odorants in cooked mussels (Mytilus edulis),
J. Agric. Food Chem., 2000, 48, 4, 1307-1314, https://doi.org/10.1021/jf990745s
. [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]
Chung, 1999
Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t
. [all data]
Stephan and Steinhart, 1999
Stephan, A.; Steinhart, H.,
Identification of character impact odorants of different soybean lecithins,
J. Agric. Food Chem., 1999, 47, 7, 2854-2859, https://doi.org/10.1021/jf981387g
. [all data]
Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R.,
Aroma-active compounds in Kimchi during fermentation,
J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991
. [all data]
Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A.,
Determination and origin of the aroma impact compounds of yogurt flavor,
J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e
. [all data]
Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y.,
Headspace gas analysis of fish sauce,
J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u
. [all data]
Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y.,
Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion,
J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037
. [all data]
Chung and Cadwallader, 1993
Chung, H.Y.; Cadwallader, K.R.,
Volatile components in blue crab (Callinectes sapidus) meat and processing by-product,
J. Food Sci., 1993, 58, 6, 1203-1207, https://doi.org/10.1111/j.1365-2621.1993.tb06148.x
. [all data]
Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y.,
Volatile Flavor Components in Crayfish Waste,
J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x
. [all data]
Baltes and Mevissen, 1988
Baltes, W.; Mevissen, L.,
Model reactions on roast aroma formation. VI. Volatile reaction products from the reaction of phenylalanine with glucose during cooking and roasting,
Z. Lebensm. Unters. Forsch., 1988, 187, 3, 209-214, https://doi.org/10.1007/BF01043341
. [all data]
Salter L.J., Mottram D.S., et al., 1988
Salter L.J.; Mottram D.S.; Whitfield,
Volatile compounds produces in Maillard reactions involving glycine, ribose and phospholid,
J. Sci. Food Agric., 1988, 46, 2, 227-242, https://doi.org/10.1002/jsfa.2740460211
. [all data]
Vejaphan, Hsieh, et al., 1988
Vejaphan, W.; Hsieh, T.C.Y.; Williams, S.S.,
Volatile flavor components from boiled crayfish (Procambarus clarkii) tail meat,
J. Food Sci., 1988, 53, 6, 1666-1670, https://doi.org/10.1111/j.1365-2621.1988.tb07811.x
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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