Ethanone, 1-(4,5-dihydro-2-thiazolyl)-
- Formula: C5H7NOS
- Molecular weight: 129.180
- IUPAC Standard InChI: InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3
- IUPAC Standard InChIKey: FZOZFDAMVVEZSJ-UHFFFAOYSA-N
- CAS Registry Number: 29926-41-8
- 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-Acetyl-2-thiazoline; 1-(4,5-Dihydro-1,3-thiazol-2-yl)ethanone; 2-Acetylthiazoline; 2-Thiazoline, 2-acetyl; Ketone, methyl 2-thiazolin-2-yl; Acetylthiazoline
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- Other data available:
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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 | DB-5MS | DB-5MS | DB-5MS | DB-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 20. | 20. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.18 | 0.18 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.18 | 0.18 |
| Tstart (C) | 35. | 35. | 35. | 60. | 60. |
| Tend (C) | 225. | 225. | 225. | 220. | 220. |
| Heat rate (K/min) | 10. | 10. | 10. | 8. | 8. |
| Initial hold (min) | 5. | 5. | 5. | 3. | 3. |
| Final hold (min) | 25. | 25. | 25. | 5. | 5. |
| I | 1110. | 1116. | 1097. | 1061. | 1069. |
| Reference | Lozano P.R., Drake M., et al., 2007 | Lozano P.R., Drake M., et al., 2007 | Lozano P.R., Miracle E.R., et al., 2007 | Rochat S., de Saint Laumer J.Y., et al., 2007 | Rochat S., de Saint Laumer J.Y., et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | SE-54 | DB-5 | DB-5MS |
| Column length (m) | 20. | 20. | 50. | 30. | 60. |
| Carrier gas | He | H2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.18 | 0.18 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.18 | 0.18 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 40. | 40. | 30. |
| Tend (C) | 220. | 220. | 240. | 240. | 250. |
| Heat rate (K/min) | 8. | 8. | 8. | 6. | 2. |
| Initial hold (min) | 3. | 3. | 2. | 2. | 2. |
| Final hold (min) | 5. | 5. | 5. | 10. | 2. |
| I | 1061. | 1069. | 1115. | 1106. | 1098. |
| Reference | Rochat S., de Saint Laumer J.Y., et al., 2007 | Rochat S., de Saint Laumer J.Y., et al., 2007 | Schlutt B., Moran N., et al., 2007 | Steinhaus and Schieberle, 2007 | Schwambach and Peterson, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | DB-5MS | DB-5 | DB-5MS | DB-5 |
| Column length (m) | 60. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | He | N2 | ||
| 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) | 30. | 40. | 30. | 40. | 40. |
| Tend (C) | 250. | 200. | 250. | 200. | 200. |
| Heat rate (K/min) | 2. | 5. | 3. | 10. | 10. |
| Initial hold (min) | 2. | 5. | 2. | 3. | 5. |
| Final hold (min) | 2. | 45. | 2. | 20. | 15. |
| I | 1102. | 1111. | 1100. | 1111. | 1115. |
| Reference | Schwambach and Peterson, 2006 | Whetstine M.E.C., Drake M.A., et al., 2006 | Colahan-Sederstrom and Peterson, 2005 | Whetstine, Cadwallader, et al., 2005 | Avsar, Karagul-Yuceer, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | CP Sil 8 CB | OV-101 |
| Column length (m) | 30. | 30. | 30. | 50. | 50. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.31 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | |
| Tstart (C) | 35. | 40. | 35. | 60. | 50. |
| Tend (C) | 200. | 220. | 200. | 220. | 250. |
| Heat rate (K/min) | 10. | 10. | 10. | 4. | 4. |
| Initial hold (min) | 5. | 5. | 5. | 5. | |
| Final hold (min) | 30. | 30. | 30. | 30. | |
| I | 1103. | 1118. | 1107. | 1101. | 1064. |
| Reference | Karagül-Yüceer, Cadwallader, et al., 2002 | Wu and Cadwallader, 2002 | Karagül-Yüceer, Drake, et al., 2001 | Chevance and Farmer, 1999 | Misharina, Golovnya, et al., 1992 |
| Comment | MSDC-RI | 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.
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]
Lozano P.R., Miracle E.R., et al., 2007
Lozano P.R.; Miracle E.R.; Krause A.J.; Drake M.; Cadwallader K.R.,
Effect of cold storage and packaging material on the major aroma components of sweet cream butter,
J. Agric. Food Chem., 2007, 55, 19, 7840-7846, https://doi.org/10.1021/jf071075q
. [all data]
Rochat S., de Saint Laumer J.Y., et al., 2007
Rochat S.; de Saint Laumer J.Y.; Chaintreau A.,
Analysis of sulfur compounds from the in-oven roast beef aroma by comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2007, 1147, 1, 85-94, https://doi.org/10.1016/j.chroma.2007.02.039
. [all data]
Schlutt B., Moran N., et al., 2007
Schlutt B.; Moran N.; Schieberle P.; Hofmann T.,
Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream,
J. Agric. Food Chem., 2007, 55, 23, 9634-9645, https://doi.org/10.1021/jf0721545
. [all data]
Steinhaus and Schieberle, 2007
Steinhaus, P.; Schieberle, P.,
Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science,
J. Agric. Food Chem., 2007, 55, 15, 6262-6269, https://doi.org/10.1021/jf0709092
. [all data]
Schwambach and Peterson, 2006
Schwambach, S.L.; Peterson, D.G.,
Reduction of Stale Flavor Development in Low-Heat Skim Milk Powder via Epicatechin Addition,
J. Agric. Food Chem., 2006, 54, 2, 502-508, https://doi.org/10.1021/jf0519764
. [all data]
Whetstine M.E.C., Drake M.A., et al., 2006
Whetstine M.E.C.; Drake M.A.; Nelson B.K.; Barbano D.M.,
Flavor profiles of full-fat and reduced-fat cheese and cheese fat made from aged cheddar with the fat removed using a novel process,
J. Dairy Res., 2006, 89, 2, 505-517, https://doi.org/10.3168/jds.S0022-0302(06)72113-0
. [all data]
Colahan-Sederstrom and Peterson, 2005
Colahan-Sederstrom, P.M.; Peterson, D.G.,
Inhibition of key aroma compound generated during ultrahigh-temperature processing of bovine milk via epicatechin addition,
J. Agric. Food Chem., 2005, 53, 2, 398-402, https://doi.org/10.1021/jf0487248
. [all data]
Whetstine, Cadwallader, et al., 2005
Whetstine, M.E.C.; Cadwallader, K.R.; Drake, M.A.,
Characterization of aroma compounds responsible for the rosy/floral flavor in cheddar cheese,
J. Agric. Food Chem., 2005, 53, 8, 3126-3132, https://doi.org/10.1021/jf048278o
. [all data]
Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R.,
Characterization of nutty flavor in cheddar cheese,
J. Dairy Sci., 2004, 87, 7, 1999-2010, https://doi.org/10.3168/jds.S0022-0302(04)70017-X
. [all data]
Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A.,
Volatile flavor components of stored nonfat dry milk,
J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a
. [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]
Karagül-Yüceer, Drake, et al., 2001
Karagül-Yüceer, Y.; Drake, M.; Cadwallader, K.R.,
Aroma-active components of nonfat dry milk,
J. Agric. Food Chem., 2001, 49, 6, 2948-2953, https://doi.org/10.1021/jf0009854
. [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]
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]
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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