2-methyl-3-thiophenethiol
- Formula: C5H6S2
- Molecular weight: 130.231
- IUPAC Standard InChIKey: AQXLMAYNBMTBHD-UHFFFAOYSA-N
- CAS Registry Number: 2527-76-6
- 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-methyl-3-thiophenthiol; Thiophen-3-thiol, 2-methyl; 3-Thiophenthiol, 2-methyl; 2-Methyl-thiopene-3-thiol; 2-Methylthiophen-3-thiol; 3-Thiophenethiol, 2-methyl-; 2-methylthiophene-3-thiol
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Gas Chromatography
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 8 CB | 1070. | Elmore, Campo, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | BPX-5 | 1066. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | BPX-5 | 1066. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | BP-5 | 1060. | Whitfield and Mottram, 1999 | He, 60. C @ 5. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 250. C |
Capillary | DB-5 | 1065. | Madruga and Mottram, 1998 | 30. m/0.32 mm/1. μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min |
Capillary | SE-30 | 1030. | Misharina, Golovnya, et al., 1994 | 50. m/0.32 mm/0.25 μm, He, 8. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | OV-101 | 1034. | Misharina, Golovnya, et al., 1993 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | OV-101 | 1034. | Misharina, Golovnya, et al., 1992 | 50. m/0.31 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 1059. | Hofmann and Schieberle, 1998 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 50C(5min) => 6C/min => 230C(15min) |
Capillary | SE-54 | 1059. | Hofmann and Schieberle, 1995 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 50C (5min) => 6C/min => 230C (15min) |
Capillary | DB-5 | 1058. | Mottram and Whitfield, 1995 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 0C => 60C/min => 60C (5min) => 4C/min => 250C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 1559. | Hofmann and Schieberle, 1998 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 60C(5min) => 6C/min => 230C(15min) |
Capillary | CP-Wax 52CB | 1580. | Madruga and Mottram, 1998 | 50. m/0.32 mm/0.21 μm; Program: 0C(5min) => fast => 60C(5min) => 4C/min => 220C(20min) |
Capillary | FFAP | 1559. | Hofmann and Schieberle, 1995 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 60C (5min) => 6C/min => 230C (15min) |
Capillary | FFAP | 1559. | Hofmann and Schieberle, 1995 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 60C (5min) => 6C/min => 230C (15min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1030. | Güntert, Bertram, et al., 1992 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | DB-1 | 1030. | Guntert, Brüning, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | DB-1 | 1030. | Werkhoff, Bruning, et al., 1990 | 60. m/0.32 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane | 1066. | Xu, He, et al., 2010 | Program: 40 0C 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C |
Capillary | Methyl Silicone | 1034. | Misharina, 1995 | Program: not specified |
Capillary | Methyl Silicone | 1034. | Misharina, 1995 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1584. | Guntert, Brüning, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 220. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Elmore, Campo, et al., 2002
Elmore, J.S.; Campo, M.M.; Enser, M.; Mottram, D.S.,
Effect of lipid composition on meat-like model systems containing cysteine, ribose, and polyunsaturated fatty acids,
J. Agric. Food Chem., 2002, 50, 5, 1126-1132, https://doi.org/10.1021/jf0108718
. [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]
Whitfield and Mottram, 1999
Whitfield, F.B.; Mottram, D.S.,
Investigation of the reaction between 4-hydroxy-5-methyl-3(2H)-furanone and cysteine or hydrogen sulfide at pH 4.5,
J. Agric. Food Chem., 1999, 47, 4, 1626-1634, https://doi.org/10.1021/jf980980v
. [all data]
Madruga and Mottram, 1998
Madruga, M.S.; Mottram, D.S.,
The effect of pH on the formation of volatile compounds produced by heating a model system containing 5'-imp and cysteine,
J. Braz. Chem. Soc., 1998, 9, 3, 261-271, https://doi.org/10.1590/S0103-50531998000300010
. [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., 1993
Misharina, T.A.; Golovnya, R.V.; Beletsky, I.V.,
Sorption properties of heterocyclic compounds differing by heteroatom in capillary gas chromatography,
Russ. Chem. Bull. (Engl. Transl.), 1993, 42, 7, 1167-1170, https://doi.org/10.1007/BF00701998
. [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]
Hofmann and Schieberle, 1998
Hofmann, T.; Schieberle, P.,
Identification of key aroma compounds generated from cysteine and carbohydrates under roasting conditions,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 229-236, https://doi.org/10.1007/s002170050324
. [all data]
Hofmann and Schieberle, 1995
Hofmann, T.; Schieberle, P.,
Evaluation of the key odorants in a thermally treated solution of ribose and cysteine by aroma extract dilution techniques,
J. Agric. Food Chem., 1995, 43, 8, 2187-2194, https://doi.org/10.1021/jf00056a042
. [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]
Güntert, Bertram, et al., 1992
Güntert, M.; Bertram, H.-J.; Hopp, R.; Silberzahn, W.; Sommer, H.; Werkhoff, P.,
Thermal generation of flavor compounds from thiamin and various amino acids
in Recent developments in flavor and fragrance chemistry. Proceedings of the 3rd International Haarmann Reimer Symposium, Hopp,R.; Mori,K., ed(s)., VCH Publishers, New York, 1992, 215-240. [all data]
Guntert, Brüning, et al., 1990
Guntert, M.; Brüning, J.; Emberger, R.; Köpsel, Ml; Kuhn, W.; Thielmann, T.; Werkhoff, P.,
Identification and formation of some selected sulfur-containing flavor compounds in various meat model systems,
J. Agric. Food Chem., 1990, 38, 11, 2027-2041, https://doi.org/10.1021/jf00101a007
. [all data]
Werkhoff, Bruning, et al., 1990
Werkhoff, P.; Bruning, J.; Emberger, R.; Guntert, M.; Kopsel, M.; Kuhn, W.; Surburg, H.,
Isolation and Characterization of Volatile Sulfur-Containing Meat Flavor Components in Model Systems,
J. Agric. Food Chem., 1990, 38, 3, 777-791, https://doi.org/10.1021/jf00093a041
. [all data]
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]
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, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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