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, 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-5 | HP-5MS | CP Sil 8 CB |
Column length (m) | 60. | 30. | 60. | 30. | 50. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 1. | 0.25 | 1. | 0.25 | |
Tstart (C) | 40. | 35. | 40. | 50. | 60. |
Tend (C) | 230. | 225. | 260. | 260. | 220. |
Heat rate (K/min) | 3. | 10. | 4. | 10. | 4. |
Initial hold (min) | 2. | 5. | 2. | 5. | 5. |
Final hold (min) | 10. | 25. | 10. | 30. | |
I | 693. | 696. | 697. | 700. | 697. |
Reference | Engel and Ratel, 2007 | Lozano P.R., Drake M., et al., 2007 | Methven L., Tsoukka M., et al., 2007 | Cerny and Guntz-Dubini, 2006 | Mahadevan and Farmer, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | BPX-5 | CP Sil 8 CB | BP-5 | CP Sil 8 CB |
Column length (m) | 30. | 50. | 60. | 50. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 40. | 60. | 40. |
Tend (C) | 250. | 250. | 250. | 250. | 280. |
Heat rate (K/min) | 4. | 4. | 4. | 4. | 4. |
Initial hold (min) | 2. | 5. | 8. | 2. | |
Final hold (min) | 20. | 20. | 10. | ||
I | 696. | 691. | 698. | 680. | 703. |
Reference | Pino, Mesa, et al., 2005 | Bredie, Mottram, et al., 2002 | Duckham, Dodson, et al., 2002 | Whitfield and Mottram, 2001 | Elmore, Mottram, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-5 | SE-30 | SE-30 | DB-1 | OV-101 |
Column length (m) | 50. | 50. | 50. | 60. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.31 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | |
Tstart (C) | 60. | 50. | 50. | 35. | 50. |
Tend (C) | 250. | 250. | 250. | 280. | 250. |
Heat rate (K/min) | 4. | 4. | 8. | 2. | 4. |
Initial hold (min) | 5. | 10. | |||
Final hold (min) | 10. | ||||
I | 680. | 660. | 666. | 669. | 665. |
Reference | Whitfield and Mottram, 1999 | Misharina and Golovnya, 1996 | Misharina, Golovnya, et al., 1994 | Specht and Baltes, 1994 | Misharina, Golovnya, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | HP-1 | OV-101 | DB-1 | DB-1 |
Column length (m) | 50. | 50. | 60. | 60. |
Carrier gas | He | He | He | |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 1.5 | 0.50 | 0.25 | 0.25 |
Tstart (C) | 40. | 50. | 40. | 40. |
Tend (C) | 220. | 250. | 220. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 2. |
Initial hold (min) | ||||
Final hold (min) | 30. | 10. | 10. | |
I | 662. | 664. | 650. | 668. |
Reference | Zhang, Dorjpalam, et al., 1992 | Misharina, Aerove, et al., 1991 | Zhang and Ho, 1991 | Zhang and Ho, 1991, 2 |
Comment | MSDC-RI | MSDC-RI | 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]
Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S.,
Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar),
J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611
. [all data]
Cerny and Guntz-Dubini, 2006
Cerny, C.; Guntz-Dubini, R.,
Role of the solvent glycerol in the Maillard reaction of D-fructose and L-aniline,
J. Agric. Food Chem., 2006, 54, 2, 574-577, https://doi.org/10.1021/jf052222s
. [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]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Bredie, Mottram, et al., 2002
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E.,
Effect of temperature and pH on the generation of flavor volatiles in extrusion cooking of wheat flour,
J. Agric. Food Chem., 2002, 50, 5, 1118-1125, https://doi.org/10.1021/jf0111662
. [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]
Whitfield and Mottram, 2001
Whitfield, F.B.; Mottram, D.S.,
Heterocyclic volatiles formed by heating cysteine or hydrogen sulfide with 4-hydroxy-5-methyl-3(2H)-furanone at pH 6.5,
J. Agric. Food Chem., 2001, 49, 2, 816-822, https://doi.org/10.1021/jf0008644
. [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]
Whitfield and Mottram, 1999
Whitfield, F.B.; Mottram, D.S.,
Investigation of the reaction between 4-hydroxy-5-methyl-3(2H)-furanone and cysteine or hydrogen sulfide at pH 4.5,
J. Agric. Food Chem., 1999, 47, 4, 1626-1634, https://doi.org/10.1021/jf980980v
. [all data]
Misharina and Golovnya, 1996
Misharina, T.A.; Golovnya, R.V.,
Study of the composition of volatiles in raw and processed sardine by gas chromatography and gas chromatography-mass spectrometry,
Zh. Anal. Khim., 1996, 51, 7, 791-795. [all data]
Misharina, Golovnya, et al., 1994
Misharina, T.A.; Golovnya, R.V.; Strashnenko, E.S.; Medvedeva, I.B.,
Sorbtion-structural mass-spectrometric characteristics of volatile components of model systems and flavor compounds with meat odor,
Zh. Anal. Khim., 1994, 49, 7, 722-728. [all data]
Specht and Baltes, 1994
Specht, K.; Baltes, W.,
Identification of volatile flavor compounds with high aroma values from shallow-fried beef,
J. Agric. Food Chem., 1994, 42, 10, 2246-2253, https://doi.org/10.1021/jf00046a031
. [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
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