2-Methyl-3-furanthiol
- Formula: C5H6OS
- Molecular weight: 114.166
- IUPAC Standard InChIKey: RUYNUXHHUVUINQ-UHFFFAOYSA-N
- CAS Registry Number: 28588-74-1
- 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: 3-Furanthiol, 2-methyl-; 2-Methyl, 3-furanethiol; 2-Methyl-3-mercaptofuran; 2-Methyl-3-sulfanylfuran; 2-Methyl-furan-3-thiol; Furan-3-thiol, 2-methyl
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- Other data available:
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Normal alkane RI, 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 | FFAP | DB-Wax | FFAP | DB-Wax | HP-FFAP |
Column length (m) | 25. | 30. | 25. | 30. | 30. |
Carrier gas | Nitrogen | Hydrogen | Nitrogen | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.30 | 0.50 | 0.30 | 0.50 | 0.25 |
Program | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | 36 0C 20 0C/min -> 85 0C 1 0C -> 145 0C 3 0C/min -> 230 0C | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (40 min) | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) |
I | 1306. | 1315. | 1306. | 1315. | 1335. |
Reference | Bailly and Collin, 2010 | San-Juan, Petka, et al., 2010 | Bailly, Jerkovic, et al., 2009 | Ferreira, Juan, et al., 2009 | Carrapiso and Garsia, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP-CB | FFAP | FFAP | FFAP | DB-Wax |
Column length (m) | 25. | 25. | 25. | 25. | |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.30 | 0.3 | 0.3 | 0.3 | |
Program | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 1345 0C 3 0C/min -> 250 0C | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C | 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min) | not specified |
I | 1306. | 1306. | 1306. | 1306. | 1325. |
Reference | Bailly, Jerkovic, et al., 2006 | Bailly, Jerkovic, et al., 2006, 2 | Bailly, Jerkovic, et al., 2006, 2 | Vermeulen, Lejeune, et al., 2006 | Escudero, Gogorza, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | FFAP | FFAP |
Column length (m) | 30. | |
Carrier gas | Helium | |
Substrate | ||
Column diameter (mm) | 0.32 | |
Phase thickness (μm) | 0.25 | |
Program | 50 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 180 0C (10 min) | not specified |
I | 1305. | 1325. |
Reference | Bel Rhild, Fleury, et al., 2002 | Blank, Stampfli, et al., 1994 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Bailly and Collin, 2010
Bailly, S.; Collin, S.,
Fate of polyunsaturated thiols in sauternes wines through ageing
in Expression of Multidisciplinary Flavour Sci., Blank, I.; Wust, M.; Yertzian, C., ed(s)., Zhaw Ed., 2010, 227-230, retrieved from https://home.zhaw.ch/tildayere/pdf/Teil58-Expression of Multidisciplinary.pdf. [all data]
San-Juan, Petka, et al., 2010
San-Juan, F.; Petka, J.; Cacho, J.; Ferreira, V.; Escudero, A.,
Producing headspace extracts for the gas chromatography - olphactometric evaluation of wine aroma,
Food Chemistry, 2010, 123, 1, 188-195, https://doi.org/10.1016/j.foodchem.2010.03.129
. [all data]
Bailly, Jerkovic, et al., 2009
Bailly, S.; Jerkovic, V.; Meuree, A.; Timmermans, A.; Collin, S.,
Fate of key odorants in Sauternes wines through aging,
J. Agric. Food Chem., 2009, 57, 18, 8557-8563, https://doi.org/10.1021/jf901429d
. [all data]
Ferreira, Juan, et al., 2009
Ferreira, V.; Juan, F.S.; Escudero, A.; Cullere, L.; Fernandez-Zurbano, P.; Saenz-Navajas, M.P.; Cacho, J.,
Modeling quality of premium Spanish red wines from gas chromatography-olfactometry data,
J. Agr. Food. Chem., 2009, 57, 16, 7490-7498, https://doi.org/10.1021/jf9006483
. [all data]
Carrapiso and Garsia, 2007
Carrapiso, A.I.; Garsia, C.,
Effect of sampling conditions on the odour-active compounds of iberian ham,
Cienc. Technol. Aliment., 2007, 5, 4, 287-290, https://doi.org/10.1080/11358120709487703
. [all data]
Bailly, Jerkovic, et al., 2006
Bailly, S.; Jerkovic, V.; Collin, S.,
Identification of key-odorants in Sauternes wines, Identification of key-odorants in Sauternes wines, 5th International Terroir Congress, 2006, 4. [all data]
Bailly, Jerkovic, et al., 2006, 2
Bailly, S.; Jerkovic, V.; Marchand-Brynaert, J.; Collin, S.,
Aroma Extraction Dilution Analysis of Sauternes Wines. Key Role of Polyfunctional Thiols,
J. Agric. Food Chem., 2006, 54, 19, 7227-7234, https://doi.org/10.1021/jf060814k
. [all data]
Vermeulen, Lejeune, et al., 2006
Vermeulen, C.; Lejeune, I.; Tran, T.T.H.; Collin, S.,
Occurrence of polyfunctional thiols in fresh lager beers,
J. Agric. Food Chem., 2006, 54, 14, 5061-5068, https://doi.org/10.1021/jf060669a
. [all data]
Escudero, Gogorza, et al., 2004
Escudero, A.; Gogorza, B.; Melús, M.A.; Ortín, N.; Cacho, J.; Ferreira, V.,
Characterization of the aroma of a wine from Maccabeo. Key role played by compounds with low odor activity values,
J. Agric. Food Chem., 2004, 52, 11, 3516-3524, https://doi.org/10.1021/jf035341l
. [all data]
Bel Rhild, Fleury, et al., 2002
Bel Rhild, R.; Fleury, Y.; Devaud, S.; Fay, L.B.; Blank, I.; Juillerat, M.A.,
Biogeneration of roasted noted based on 2-acetyl-2-thiazoline and the precursor 2-(1-hydroxyethyl)-4,5-dihydrothiazole, 2002, retrieved from http://www.imrablank.ch/ACS2002826179.pdf. [all data]
Blank, Stampfli, et al., 1994
Blank, I.; Stampfli, A.; Eisenreich, W.,
Analysis of food flavourings by gas chromatography - olfactometry
in Trends of Flavour Research, Maarse, H.; van der Heij, D.G., ed(s)., 1994, 271-276. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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