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
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Other names: 2-Ethyl-4,5-dimethylthiazole; 4,5-Dimethyl-2-ethylthiazole
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

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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

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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

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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

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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; T_start: 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; T_start: 50. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	SE-30	1065.	Vinogradov, 2004	Program: not specified

Normal alkane RI, polar column, temperature ramp

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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; T_start: 70. C; T_end: 170. C
Capillary	Carbowax 20M	1442.	Shibamoto and Russell, 1977	1. K/min; Column length: 100. m; Column diameter: 0.25 mm; T_start: 70. C; T_end: 170. C

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1429.	Vinogradov, 2004	Program: not specified

References

Go To: Top, Gas Chromatography, Notes

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

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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