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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- Information on this page:
- Other data available:
- Options:
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 | DB-5 | Polydimethyl siloxane | CP-Sil 5 CB | CP-Sil 5 Cb | HP-5 |
Column length (m) | 30. | 50. | 50. | 50. | |
Carrier gas | Hydrogen | Nitrogen | Nitrogen | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.50 | 1.20 | 1.20 | 1.05 | |
Program | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | 40 0C 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C | 36 0C 20 0C/min -> 85 0C 1 0C -> 145 0C 3 0C/min -> 250 0C | 40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) |
I | 890. | 869. | 844. | 858. | 882. |
Reference | San-Juan, Petka, et al., 2010 | Xu, He, et al., 2010 | Bailly, Jerkovic, et al., 2009 | Collin, Nizet, et al., 2008 | Carrapiso and Garsia, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 MS | HP-5MS | CP-Sil 5 CB | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 60. | 50. | 50. | 50. | |
Carrier gas | Helium | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 1.0 | 1.20 | 1.2 | 1.2 | |
Program | 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) | not specified | 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 |
I | 879. | 867. | 845. | 845. | 848. |
Reference | Liu, Xu, et al., 2007 | Mallia, Escher, et al., 2007 | Bailly, Jerkovic, et al., 2006 | Bailly, Jerkovic, et al., 2006, 2 | Bailly, Jerkovic, et al., 2006, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil5 CB MS | DB-1 | HP-1 | CP Sil 5 CB | CP-Sil 5 CB |
Column length (m) | 50. | 20. | 50. | 50. | 50. |
Carrier gas | N2 | He | Nitrogen | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.18 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1.2 | 0.18 | 0.52 | 1.2 | 1.2 |
Program | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | not specified | 40C => 2C/min => 130C => 4C/min => 250C (25min) | 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min) | 36 0C 20 0C/min -> 85 0C 1 iC/min -> 145 0C 3 0C/min -> 250 0C |
I | 846. | 844. | 852. | 847. | 846. |
Reference | Callemien, Dasnoy, et al., 2006 | Chantreau, Rochat, et al., 2006 | Senger-Emonnot, Rochard, et al., 2006 | Vermeulen, Lejeune, et al., 2006 | Callamien, Dasnoy, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 5 CB | HP-1 | MFE-73 | SE-30 | MFE-73 |
Column length (m) | 50. | 12. | |||
Carrier gas | Nitrogen | H2 | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | |||
Phase thickness (μm) | 1.20 | 0.52 | |||
Program | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C | 35C(3min) => 6C/min => 190C => 30C/min => 225C | not specified | not specified | not specified |
I | 846. | 847. | 890. | 849. | 890. |
Reference | Callemien, Dasnoy, et al., 2005 | Carpino, Mallia, et al., 2004 | Escudero, Gogorza, et al., 2004 | Vinogradov, 2004 | Ferreira, Ortín, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | MFE-73 | MFE-73 | CP Sil 5 CB | DB-5 | Methyl Silicone |
Column length (m) | 30. | 30. | 50. | 30. | |
Carrier gas | H2 | H2 | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.1 | 0.1 | 1.2 | 0.25 | |
Program | 40C(5min) => 2C/min => 120C => 10C/min => 210C(30min) | 40 C (5min) => 2C/min => 120C => 10 C/min => 210 C (30min) | 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min) | 35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min) | not specified |
I | 870. | 870. | 855. | 866. | 849. |
Reference | Aznar, López, et al., 2001 | Ferreira, Aznar, et al., 2001 | Lermusieau, Bulens, et al., 2001 | Lin, Fay, et al., 2000 | Misharina, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Methyl Silicone | DB-1 | SE-54 |
Column length (m) | 60. | ||
Carrier gas | He | ||
Substrate | |||
Column diameter (mm) | 0.32 | ||
Phase thickness (μm) | 1.0 | ||
Program | not specified | 35 0C (5 min), 2 0C/min to 150 0C, 3 0C/min to 260 0C (30 min) | not specified |
I | 849. | 848. | 870. |
Reference | Misharina, 1995 | Ruther and Baltes, 1994 | Blank, Sen, et al., 1992 |
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.
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,
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Effect of pressure on the Maillard reaction between ribose and cysteine in supercritical carbon dioxide,
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Fate of key odorants in Sauternes wines through aging,
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Collin, Nizet, et al., 2008
Collin, S.; Nizet, S.; Muls, S.; Iraqi, R.; Bouseta, A.,
Characterization of odor-active compounds in extracts obtained by simultaneous extraction/distillation from Moroccan black olives,
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Carrapiso and Garsia, 2007
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Effect of sampling conditions on the odour-active compounds of iberian ham,
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Liu, Xu, et al., 2007
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Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques,
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Mallia, Escher, et al., 2007
Mallia, S.; Escher, F.; Rehberger, B.; Schlichtherle-Cerny, H.,
Aroma-active secondary oxidation products of butter, 3rd QLIF Congress, Hohenheim, Germany, March 20-23, 2007, 2007, retrieved from http://orgprints.org/view/projects/intconfqlif2007.html; http://orgprints.org/9734/. [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,
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Callemien, Dasnoy, et al., 2006
Callemien, D.; Dasnoy, S.; Collin, S.,
Identification of a stale-beer-like odorant in extracts of naturally aged beer,
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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]
Senger-Emonnot, Rochard, et al., 2006
Senger-Emonnot, P.; Rochard, S.; Pellegrin, F.; George, G.; Fernandez, X.; Lizzani-Cuvelier, L.,
Odour active aroma compounds of sea fig (Microcosmus sulcatus),
Food Chem., 2006, 97, 3, 465-471, https://doi.org/10.1016/j.foodchem.2005.05.026
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Vermeulen, Lejeune, et al., 2006
Vermeulen, C.; Lejeune, I.; Tran, T.T.H.; Collin, S.,
Occurrence of polyfunctional thiols in fresh lager beers,
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Callamien, Dasnoy, et al., 2005
Callamien, D.; Dasnoy, S.; Heynen, O.; Badot, C.; Collin, S.,
Flavour stability of lager beer: identification of a new key staling compounds,
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Callemien, Dasnoy, et al., 2005
Callemien, D.; Dasnoy, S.; Heynen, O.; Badot, C.; Collin, S.,
Flavour stability of lager beer: identification of a new key staling compound
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Carpino, Mallia, et al., 2004
Carpino, S.; Mallia, S.; Licitra, G.; van Soest, P.J.; Acree, T.E.,
Aroma compounds of some Hyblean pasture species,
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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,
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Vinogradov, 2004
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Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Ferreira, Ortín, et al., 2002
Ferreira, V.; Ortín, N.; Escudero, A.; López, R.; Cacho, J.,
Chemical characterization of the aroma of grenache Rosé wines: aroma extract dilution analysis, quantitative determination, and sensory reconstitution studies,
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Aznar, López, et al., 2001
Aznar, M.; López, R.; Cacho, J.F.; Ferreira, V.,
Identification and quantification of impact odorants of aged red wines from Rioja. GC-olfactometry, quantitative GC-MS, and odor evaluation of HPLC fractions,
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Ferreira, Aznar, et al., 2001
Ferreira, V.; Aznar, M.; López, R.; Cacho, J.,
Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Differences in the odor profiles of four high-quality spanish aged red wines,
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Lermusieau, G.; Bulens, M.; Collin, S.,
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Misharina, T.A.,
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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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