Thiazole, 2-ethyl-4,5-dimethyl-
- Formula: C7H11NS
- Molecular weight: 141.234
- IUPAC Standard InChI: InChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
- IUPAC Standard InChIKey: BVOKJOZBJOWZNJ-UHFFFAOYSA-N
- CAS Registry Number: 873-64-3
- 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-Ethyl-4,5-dimethylthiazole; 4,5-Dimethyl-2-ethylthiazole
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Philip Morris R&D |
| NIST MS number | 109611 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 110. | 1077. | Golovnya, Shenderyuk, et al., 1991 | He; Column length: 50. m; Column diameter: 0.30 mm |
| Capillary | OV-101 | 110. | 1077. | Zhuravleva, Shenderyuk, et al., 1990 | 50. m/0.30 mm/0.40 μm, He |
| Packed | Apiezon L | 100. | 1073. | Yakush, Golovnya, et al., 1986 | Chromosorb GAW; Column length: 2.5 m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | PEG-40M | 110. | 1439. | Golovnya, Shenderyuk, et al., 1991 | He; Column length: 50. m; Column diameter: 0.30 mm |
| Capillary | PEG-40M | 110. | 1439. | Zhuravleva, Shenderyuk, et al., 1990 | 50. m/0.30 mm/0.40 μm, He |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1105. | Mottram and Whitfield, 1995 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 0C => 60C/min => 60C (5min) => 4C/min => 250C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apieson L | 100. | 1073. | Golovnya, Zhuravleva, et al., 1987 | Argon, Chromosorb G AW (80-100 mesh); Column length: 2.4 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 1060. | Du, Clery, et al., 2008 | 50. m/0.20 mm/0.33 μm, Helium, 2. K/min, 280. C @ 20. min; Tstart: 50. C |
| Capillary | HP-5 | 1082. | Du, Clery, et al., 2008 | 50. m/0.20 mm/0.33 μm, Helium, 10. K/min, 280. C @ 8.5 min; Tstart: 50. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1065. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1441. | Shibamoto and Russell, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
| Capillary | Carbowax 20M | 1442. | Shibamoto and Russell, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1429. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Golovnya, Shenderyuk, et al., 1991
Golovnya, R.V.; Shenderyuk, V.V.; Zhuravleva, I.L.; Yakush, E.V.,
Analogy of sorption properties of alkylthiazoles and alkyl-oxazoles and its use for the calculation of retention indexes in capillary gas chromatography,
Zh. Anal. Khim., 1991, 46, 2, 313-319. [all data]
Zhuravleva, Shenderyuk, et al., 1990
Zhuravleva, I.L.; Shenderyuk, V.V.; Yakush, E.V.; Golovnya, R.V.,
Calculation of retention indexes of alkyloxazoles and alkylthiazoles in capillary chromatography,
Bull. Acad. Sci. USSR, Div. Chem. Sci. (Engl. Transl.), 1990, 6, 6, 1204-1210, https://doi.org/10.1007/BF00962384
. [all data]
Yakush, Golovnya, et al., 1986
Yakush, E.V.; Golovnya, R.V.; Zhuravleva, I.L.; Grigor'eva, D.N.,
Thermodynamic criterion and its use for identification of alkylthiazols from gas chromatographic data,
Zh. Anal. Khim., 1986, 41, 884-889. [all data]
Mottram and Whitfield, 1995
Mottram, D.S.; Whitfield, F.B.,
Volatile compounds from the reaction of cysteine, ribose, and phospholipid in low-moisture systems,
J. Agric. Food Chem., 1995, 43, 4, 984-988, https://doi.org/10.1021/jf00052a027
. [all data]
Golovnya, Zhuravleva, et al., 1987
Golovnya, R.V.; Zhuravleva, I.L.; Yakush, E.V.,
Calculation of the thermidynamic values of alkylthiazoles from the Kovats retention indices on the basis on the non-linear additivity principle,
Chromatographia, 1987, 23, 8, 595-598, https://doi.org/10.1007/BF02324871
. [all data]
Du, Clery, et al., 2008
Du, Z.; Clery, R.; Hammond, C.J.,
Volatile organic nitrogen-containing constituents in ambrette seed Abelmoschus moschatus Medik (Malvaceae),
J. Agric. Food Chem., 2008, 56, 16, 7388-7392, https://doi.org/10.1021/jf800958d
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Shibamoto and Russell, 1977
Shibamoto, T.; Russell, G.F.,
A study of the volatiles isolated from a D-glucose-hydrogen sulfide-ammonia model system,
J. Agric. Food Chem., 1977, 25, 1, 109-112, https://doi.org/10.1021/jf60209a054
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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