3-mercapto-2-butanone
- Formula: C4H8OS
- Molecular weight: 104.171
- IUPAC Standard InChIKey: XLMPYCGSRHSSSX-UHFFFAOYSA-N
- CAS Registry Number: 40789-98-8
- 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: 2-Butanone, 3-mercapto-; 3-mercaptobutan-2-one
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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 | ZB-5 | BPX-5 | CP Sil 8 CB | DB-5 | BPX-5 |
Column length (m) | 30. | 50. | 60. | 30. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 40. | 60. | 40. | 40. | 60. |
Tend (C) | 265. | 250. | 280. | 220. | 250. |
Heat rate (K/min) | 7. | 4. | 4. | 10. | 4. |
Initial hold (min) | 5. | 2. | 5. | 5. | |
Final hold (min) | 5. | 20. | 30. | 10. | |
I | 820. | 837. | 821. | 817. | 823. |
Reference | Ruiz Perez-Cacho, Mahattanatawee, et al., 2007 | Bredie, Mottram, et al., 2002 | Elmore, Campo, et al., 2002 | Wu and Cadwallader, 2002 | Ames, Guy, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | BP-5 | BP-5 | DB-5 | DB-5 |
Column length (m) | 50. | 50. | 50. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 1. | 1. | ||
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 250. | 250. | 250. | 250. | 250. |
Heat rate (K/min) | 4. | 4. | 4. | 4. | 4. |
Initial hold (min) | 5. | 5. | 5. | 5. | |
Final hold (min) | 10. | 20. | |||
I | 823. | 816. | 817. | 817. | 815. |
Reference | Ames, Guy, et al., 2001 | Whitfield and Mottram, 2001 | Whitfield and Mottram, 1999 | Madruga and Mottram, 1998 | Mottram, Madruga, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-1 |
Column length (m) | 60. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | 0.25 |
Tstart (C) | 40. |
Tend (C) | 220. |
Heat rate (K/min) | 2. |
Initial hold (min) | |
Final hold (min) | 10. |
I | 780. |
Reference | Zhang and Ho, 1991 |
Comment | 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.
Ruiz Perez-Cacho, Mahattanatawee, et al., 2007
Ruiz Perez-Cacho, P.; Mahattanatawee, K.; Smoot, J.M.; Rouseff, R.,
Identification of Sulfur Volatiles in Canned Orange Juices Lacking Orange Flavor,
J. Agric. Food Chem., 2007, 55, 14, 5761-5767, https://doi.org/10.1021/jf0703856
. [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]
Elmore, Campo, et al., 2002
Elmore, J.S.; Campo, M.M.; Enser, M.; Mottram, D.S.,
Effect of lipid composition on meat-like model systems containing cysteine, ribose, and polyunsaturated fatty acids,
J. Agric. Food Chem., 2002, 50, 5, 1126-1132, https://doi.org/10.1021/jf0108718
. [all data]
Wu and Cadwallader, 2002
Wu, Y.-F.G.; Cadwallader, K.R.,
Characterization of the aroma of a meatlike process flavoring from soybean-based enzyme-hydrolyzed vegetable protein,
J. Agric. Food Chem., 2002, 50, 10, 2900-2907, https://doi.org/10.1021/jf0114076
. [all data]
Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J.,
Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking,
J. Agric. Food Chem., 2001, 49, 4, 1885-1894, https://doi.org/10.1021/jf0012547
. [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]
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]
Madruga and Mottram, 1998
Madruga, M.S.; Mottram, D.S.,
The effect of pH on the formation of volatile compounds produced by heating a model system containing 5'-imp and cysteine,
J. Braz. Chem. Soc., 1998, 9, 3, 261-271, https://doi.org/10.1590/S0103-50531998000300010
. [all data]
Mottram, Madruga, et al., 1995
Mottram, D.S.; Madruga, M.S.; Whitfield, F.B.,
Some novel meatlike aroma compounds from the reactions of alkanediones with hydrogen sulfide and fuanthiols,
J. Agric. Food Chem., 1995, 43, 1, 189-193, https://doi.org/10.1021/jf00049a035
. [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]
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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