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, non-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 | SPB-5 | HP-5 | CP Sil 8 CB | CP Sil 8 CB | DB-5 |
Column length (m) | 30. | 30. | 60. | 60. | 25. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 1.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40C(1min) => 6C/min => 180C => 20C/min => 280C | 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min) | 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) | 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) | 35C(2min) => 40C/min => 50C(2min) => 4C/min => 240C(10min) |
I | 687. | 701. | 707. | 716. | 700. |
Reference | Majcher and Jelen, 2007 | Engel, Baty, et al., 2002 | Oruna-Concha, Bakker, et al., 2002 | Duckham, Dodson, et al., 2001 | Kirchhoff and Schieberle, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-SIL8 | CP-Sil 8CB-MS | DB-5 | SE-54 | BPX-5 |
Column length (m) | 60. | 60. | 50. | 30. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.5 |
Program | 40C(2min) => 4C/min => 200C => 10C/min => 250C (15min) | 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C | oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C (5min) => 10C/min => 230C (5min) | OC (5min) => 60C/min => 60C(5min) => 4C/min => 250C |
I | 702. | 704. | 709. | 696. | 698. |
Reference | Woffenden, Ames, et al., 2001 | Elmore, Mottram, et al., 2000 | Parker, Hassell, et al., 2000 | Tairu, Hofmann, et al., 2000 | Bredie, Mottram, et al., 1998 |
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 | SE-54 | DB-5 |
Column length (m) | 25. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.53 | 0.32 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 1. | 0.25 | 1. |
Program | 35C (2min) => 4C/min => 150C => 10C/min => 240C | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10 min) | not specified | 40C (2min) => 40C/min => 50C (2min) => 240C (10min) | 35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min) |
I | 700. | 696. | 690. | 696. | 702. |
Reference | Fickert and Schieberle, 1998 | Hinterholzer, Lemos, et al., 1998 | Heiler and Schieberle, 1997 | Münch, Hofmann, et al., 1997 | Triqui and Reineccius, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | SE-54 | DB-5 | HP-PONA |
Column length (m) | 30. | 50. | |
Carrier gas | He | ||
Substrate | |||
Column diameter (mm) | 0.32 | 0.2 | |
Phase thickness (μm) | 1.0 | 0.5 | |
Program | 35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min) | 5 0C (0.5 min) -> (1 min) 60 0C (5 min) 4 0C/min -> 250 0C | 20C(0.5min) => fast => 60C => 4C/min => 250C |
I | 700. | 658. | 681. |
Reference | Triqui and Reineccius, 1995 | Beal and Mottram, 1994 | Maignial, Pibarot, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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.
Majcher and Jelen, 2007
Majcher, M.A.; Jelen, H.H.,
Effect of Cysteine and Cystine Addition on Sensory Profile and Potent Odorants of Extruded Potato Snacks,
J. Agric. Food Chem., 2007, 55, 14, 5754-5760, https://doi.org/10.1021/jf0703147
. [all data]
Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N.,
Flavor-active compounds potentially implicated in cooked cauliflower acceptance,
J. Agric. Food Chem., 2002, 50, 22, 6459-6467, https://doi.org/10.1021/jf025579u
. [all data]
Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M.,
Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking,
J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148
. [all data]
Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M.,
Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars,
Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4
. [all data]
Kirchhoff and Schieberle, 2001
Kirchhoff, E.; Schieberle, P.,
Determination of key aroma compounds in the crumb of a three-stage sourdough rye bread by stable isotope dilution assays and sensory studies,
J. Agric. Food Chem., 2001, 49, 9, 4304-4311, https://doi.org/10.1021/jf010376b
. [all data]
Woffenden, Ames, et al., 2001
Woffenden, H.M.; Ames, J.M.; Chandra, S.,
Relationships between antioxidant activity, color, and flavor compounds of crystal Malt extracts,
J. Agric. Food Chem., 2001, 49, 11, 5524-5530, https://doi.org/10.1021/jf010583b
. [all data]
Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
The effects of diet and breed on the volatile compounds of cooked lamb,
Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0
. [all data]
Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E.,
Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours,
J. Agric. Food Chem., 2000, 48, 8, 3497-3506, https://doi.org/10.1021/jf991302r
. [all data]
Tairu, Hofmann, et al., 2000
Tairu, A.O.; Hofmann, T.; Schieberle, P.,
Studies on the key odorants formed by roasting of wild mango seeds (Irvingia gabonensis),
J. Agric. Food Chem., 2000, 48, 6, 2391-2394, https://doi.org/10.1021/jf990765u
. [all data]
Bredie, Mottram, et al., 1998
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E.,
Aroma volatiles generated during extrusion cooking of maize flour,
J. Agric. Food Chem., 1998, 46, 4, 1479-1487, https://doi.org/10.1021/jf9708857
. [all data]
Fickert and Schieberle, 1998
Fickert, B.; Schieberle, P.,
Identification of the key odorants in barley malt (caramalt) using GC/MS techniques and odour dilution analyses,
Nahrung, 1998, 42, 6, 371-375, https://doi.org/10.1002/(SICI)1521-3803(199812)42:06<371::AID-FOOD371>3.0.CO;2-V
. [all data]
Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P.,
Identification of the key odorants in raw French beans and changes during cooking,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322
. [all data]
Heiler and Schieberle, 1997
Heiler, C.; Schieberle, P.,
Quantitative instrumental and sensory studies on Aroma compounds contributing to a metallic flavour defect in buttermilk,
Int. Dairy J., 1997, 7, 10, 659-666, https://doi.org/10.1016/S0958-6946(97)00067-8
. [all data]
Münch, Hofmann, et al., 1997
Münch, P.; Hofmann, T.; Schieberle, P.,
Comparison of key odorants generated by thermal treatment of commercial and self-prepared yeast extracts: influence of the amino acid composition on odorant formation,
J. Agric. Food Chem., 1997, 45, 4, 1338-1344, https://doi.org/10.1021/jf960658p
. [all data]
Triqui and Reineccius, 1995
Triqui, R.; Reineccius, G.A.,
Changes in flavor profiles with ripening of anchovy (Engraulis encrasicholus),
J. Agric. Food Chem., 1995, 43, 7, 1883-1889, https://doi.org/10.1021/jf00055a024
. [all data]
Beal and Mottram, 1994
Beal, A.D.; Mottram, D.S.,
Compounds contributing to the characteristic aroma of malted barley,
J. Agric. Food Chem., 1994, 42, 12, 2880-2884, https://doi.org/10.1021/jf00048a043
. [all data]
Maignial, Pibarot, et al., 1992
Maignial, L.; Pibarot, P.; Bonetti, G.; Chaintreau, A.; Marion, J.P.,
Simultaneous distillation-extraction under static vacuum: isolation of volatile compounds at room temperature,
J. Chromatogr., 1992, 606, 1, 87-94, https://doi.org/10.1016/0021-9673(92)85260-Z
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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