2-Acetylthiazole
- Formula: C5H5NOS
- Molecular weight: 127.164
- IUPAC Standard InChIKey: MOMFXATYAINJML-UHFFFAOYSA-N
- CAS Registry Number: 24295-03-2
- 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: Ethanone, 1-(2-thiazolyl)-; Ketone, methyl 2-thiazolyl; 1-(1,3-Thiazol-2-yl)ethanone; 2-Acetylthiazol; Thiazole, 2-acetyl; 1-(2-Thiazolyl)ethanone; Methyl 2-thiazolyl ketone; 1-(thiazol-2-yl)ethan-1-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 | DB-5MS | DB-5MS | DB-5MS | DB-5 | DB-1 |
Column length (m) | 30. | 30. | 30. | 60. | 20. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.18 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 0.18 |
Tstart (C) | 40. | 35. | 35. | 40. | 60. |
Tend (C) | 200. | 225. | 225. | 260. | 220. |
Heat rate (K/min) | 4. | 10. | 10. | 4. | 8. |
Initial hold (min) | 1. | 5. | 5. | 2. | 3. |
Final hold (min) | 10. | 25. | 25. | 10. | 5. |
I | 1064. | 1035. | 1042. | 1025. | 981. |
Reference | Cho I.H., Lee S.M., et al., 2007 | Lozano P.R., Drake M., et al., 2007 | Lozano P.R., Drake M., et al., 2007 | Methven L., Tsoukka M., 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-5MS | CP Sil 8 CB | DB-5MS | BPX-5 |
Column length (m) | 20. | 30. | 50. | 30. | 50. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.18 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.18 | 0.25 | 0.25 | 0.5 | |
Tstart (C) | 60. | 40. | 60. | 40. | 60. |
Tend (C) | 220. | 200. | 220. | 200. | 250. |
Heat rate (K/min) | 8. | 4. | 4. | 5. | 4. |
Initial hold (min) | 3. | 1. | 5. | 5. | 5. |
Final hold (min) | 5. | 10. | 30. | 45. | 20. |
I | 986. | 1064. | 1019. | 1008. | 1046. |
Reference | Rochat S., de Saint Laumer J.Y., et al., 2007 | Cho, Kim, et al., 2006 | Mahadevan and Farmer, 2006 | Whetstine M.E.C., Drake M.A., et al., 2006 | Bredie, Mottram, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SPB-5 | BPX-5 | DB-5 | CP Sil 8 CB |
Column length (m) | 30. | 30. | 50. | 30. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
Tstart (C) | 35. | 60. | 60. | 35. | 40. |
Tend (C) | 200. | 250. | 250. | 200. | 280. |
Heat rate (K/min) | 10. | 4. | 4. | 10. | 4. |
Initial hold (min) | 5. | 2. | 5. | 5. | 2. |
Final hold (min) | 30. | 20. | 10. | 30. | |
I | 1018. | 1014. | 1036. | 1025. | 1027. |
Reference | Karagül-Yüceer, Cadwallader, et al., 2002 | Pino, Marbot, et al., 2002 | Ames, Guy, et al., 2001 | Karagül-Yüceer, Drake, et al., 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 | SE-30 | OV-101 | DB-1 | DB-1 | DB-1 |
Column length (m) | 50. | 50. | 50. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.31 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 1.05 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 40. | 40. | 40. |
Tend (C) | 250. | 250. | 260. | 220. | 220. |
Heat rate (K/min) | 8. | 4. | 2. | 2. | 2. |
Initial hold (min) | |||||
Final hold (min) | 40. | 10. | 10. | ||
I | 1059. | 1038. | 989. | 989. | 989. |
Reference | Misharina, Golovnya, et al., 1994 | Misharina, Golovnya, et al., 1992 | Izzo and Ho, 1991 | Zhang and Ho, 1991 | Zhang and Ho, 1991, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | DB-1 | DB-1 |
Column length (m) | 60. | 60. |
Carrier gas | He | He |
Substrate | ||
Column diameter (mm) | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 |
Tstart (C) | 40. | 40. |
Tend (C) | 220. | 220. |
Heat rate (K/min) | 2. | 2. |
Initial hold (min) | ||
Final hold (min) | 10. | 10. |
I | 979. | 980. |
Reference | Zhang and Ho, 1989 | Zhang, Chien, et al., 1988 |
Comment | 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.
Cho I.H., Lee S.M., et al., 2007
Cho I.H.; Lee S.M.; Kim S.Y.; Choi H.K.; Kim K.O.; Kim Y.S.,
Differentiation of aroma characteristics of pine-mushrooms (Tricholoma matsutake Sing.) of different grades using gas chromatography-olfactometry and sensory analysis,
J. Agric. Food Chem., 2007, 55, 6, 2323-2328, https://doi.org/10.1021/jf062702z
. [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]
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]
Cho, Kim, et al., 2006
Cho, I.H.; Kim, S.Y.; Choi, H.-K.; Kim, Y.-S.,
Characterization of Aroma-Active Compounds in Raw and Cooked Pine-Mushrooms (Tricholoma matsutake Sing.),
J. Agric. Food Chem., 2006, 54, 17, 6332-6335, https://doi.org/10.1021/jf060824l
. [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]
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]
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]
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]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [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]
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]
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]
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]
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]
Izzo and Ho, 1991
Izzo, H.V.; Ho, C.-T.,
Isolation and identification of the volatile components of an extruded autolyzed yeast extract,
J. Agric. Food Chem., 1991, 39, 12, 2245-2248, https://doi.org/10.1021/jf00012a029
. [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]
Zhang and Ho, 1989
Zhang, Y.; Ho, C.-T.,
Volatile compounds formed from thermnal interaction of 2,4-decadienal with cysteine and glutathione,
J. Agric. Food Chem., 1989, 37, 4, 1016-1020, https://doi.org/10.1021/jf00088a044
. [all data]
Zhang, Chien, et al., 1988
Zhang, Y.; Chien, M.; Ho.C.-T.,
Comparison of the volatile compounds obtained from thermal degradation of cysteine and glutathione in water,
J. Agric. Food Chem., 1988, 36, 5, 992-996, https://doi.org/10.1021/jf00083a022
. [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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