2-Acetylthiazole
- Formula: C5H5NOS
- Molecular weight: 127.164
- IUPAC Standard InChI: InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
- 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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- Other data available:
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Normal alkane 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 | Polydimethyl siloxane | SE-54 | HP-5 MS | HP-5 MS | DB-5 MS |
| Column length (m) | 30. | 30. | 30. | 60. | |
| Carrier gas | Helium | Helium | Helium | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.0 | |
| Program | 40 0C 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C | 35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0C | 40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C | 40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C | 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) |
| I | 1022. | 1020. | 1013. | 1016. | 1031. |
| Reference | Xu, He, et al., 2010 | Christlbauer and Schieberle, 2009 | Xie, Sun, et al., 2008 | Xie, Sun, et al., 2008 | Liu, Xu, 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 | BPX-5 | SE-30 | RTX-5 MS |
| Column length (m) | 20. | 20. | 60. | 60. | |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.18 | 0.18 | 0.32 | 0.25 | |
| Phase thickness (μm) | 0.18 | 0.18 | 1. | 0.5 | |
| Program | not specified | not specified | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | not specified | 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min) |
| I | 981. | 986. | 1038. | 995. | 1031. |
| Reference | Chantreau, Rochat, et al., 2006 | Chantreau, Rochat, et al., 2006 | Machiels, Istasse, et al., 2004 | Vinogradov, 2004 | Machiels and Istasse, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | SE-54 | DB-5 | Methyl Silicone |
| Column length (m) | 25. | 30. | |
| Carrier gas | He | ||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | ||
| Program | 35C(2min) => 50C/min => 60C(2min) => 4C/min => 230C | not specified | not specified |
| I | 1020. | 1013. | 1038. |
| Reference | Zehentbauer and Grosch, 1998 | Schieberle, 1996 | Misharina, 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Xu, He, et al., 2010
Xu, H.; He, W.; Liu, X.; Gao, Y.,
Effect of pressure on the Maillard reaction between ribose and cysteine in supercritical carbon dioxide,
Czech J. Food Sci., 2010, 28, 3, 192-201. [all data]
Christlbauer and Schieberle, 2009
Christlbauer, M.; Schieberle, P.,
Characterization of the key aroma compounds in beef and pork vegetable gravies a la chef by application of the aroma extract dilution analysis,
J. Agric. Food Chem., 2009, 57, 19, 9114-9112, https://doi.org/10.1021/jf9023189
. [all data]
Xie, Sun, et al., 2008
Xie, J.; Sun, B.; Zheng, F.; Wang, S.,
Volatile flavor constituents in roasted pork of mini-pig,
Food Chem., 2008, 109, 3, 506-514, https://doi.org/10.1016/j.foodchem.2007.12.074
. [all data]
Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H.,
Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques,
Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x
. [all data]
Chantreau, Rochat, et al., 2006
Chantreau, A.; Rochat, S.; de Saint Laumer, J.-Y.,
Re-investigation of sulfur impact odorants in roast beef using comprehensive two-dimensional GC-TOF-MS and the GC-SNIF,
Developments Food. Sci., 2006, 43, 601-604. [all data]
Machiels, Istasse, et al., 2004
Machiels, D.; Istasse, L.; van Ruth, S.M.,
Gas chromatography-olfactometry analysis of beef meat originating from differently fed Belgian Blue, Limousin and Aberdeen Angus bulls,
Food Chem., 2004, 86, 3, 377-383, https://doi.org/10.1016/j.foodchem.2003.09.011
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Machiels and Istasse, 2003
Machiels, D.; Istasse, L.,
Evaluation of two commercial solid-phase microextraction fibres for the analysis of target aroma compounds in cooked beef meat,
Talanta, 2003, 61, 4, 529-537, https://doi.org/10.1016/S0039-9140(03)00319-9
. [all data]
Zehentbauer and Grosch, 1998
Zehentbauer, G.; Grosch, W.,
Crust aroma of baguettes. I. Key odorants of baguettes prepared in two different ways,
J. Cereal Science, 1998, 28, 1, 81-92, https://doi.org/10.1006/jcrs.1998.0184
. [all data]
Schieberle, 1996
Schieberle, P.,
Odour-active compounds in moderately roasted sesame,
Food Chem., 1996, 55, 2, 145-152, https://doi.org/10.1016/0308-8146(95)00095-X
. [all data]
Misharina, 1995
Misharina, T.A.,
Sorption regularities of sulfur- and oxygen-containing compounds in chromatography and their application in identification of volatile organic compounds, Diss. degree of Dr. Sci. (Chemistry), 1995, 52. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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