2-Methyl-3-furanthiol
- Formula: C5H6OS
- Molecular weight: 114.166
- IUPAC Standard InChI: InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
- 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, polar column, temperature ramp
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-Wax | DB-Wax | DB-Wax | HP-Innowax | DB-Wax |
| Column length (m) | 30. | 30. | 15. | 60. | 30. |
| Carrier gas | Helium | Helium | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.5 |
| Tstart (C) | 40. | 40. | 40. | 60. | 40. |
| Tend (C) | 230. | 230. | 230. | 220. | 200. |
| Heat rate (K/min) | 6. | 6. | 6. | 2. | 4. |
| Initial hold (min) | 2. | 2. | 5. | ||
| Final hold (min) | 20. | 20. | 20. | 10. | |
| I | 1305. | 1311. | 1298. | 1284. | 1322. |
| Reference | Chen, Song, et al., 2009 | Chen, Song, et al., 2009 | Kishimoto, Wanikawa, et al., 2006 | Senger-Emonnot, Rochard, et al., 2006 | Culleré, Escudero, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | TC-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | H2 | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.5 | 0.5 |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 230. | 230. | 200. | 200. | 240. |
| Heat rate (K/min) | 3. | 6. | 4. | 4. | 7. |
| Initial hold (min) | 8. | 5. | 5. | ||
| Final hold (min) | 20. | 5. | |||
| I | 1302. | 1296. | 1317. | 1325. | 1274. |
| Reference | Ishikawa, Ito, et al., 2004 | Akiyama, Murakami, et al., 2003 | López, Ortín, et al., 2003 | Ferreira, Ortín, et al., 2002 | Lin, Rouseff, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-FFAP | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | H2 | H2 | H2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.5 | 0.5 |
| Tstart (C) | 40. | 40. | 40. | 60. | 60. |
| Tend (C) | 230. | 200. | 200. | 245. | 245. |
| Heat rate (K/min) | 6. | 4. | 4. | 3. | 3. |
| Initial hold (min) | 2. | 5. | 5. | 3. | 3. |
| Final hold (min) | 5. | 60. | 60. | 20. | 20. |
| I | 1309. | 1320. | 1320. | 1270. | 1270. |
| Reference | Sanz, Czerny, et al., 2002 | Aznar, López, et al., 2001 | Ferreira, Aznar, et al., 2001 | Kotseridis and Baumes, 2000 | Kotseridis and Baumes, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. |
| Carrier gas | Hydrogen | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | 0.50 | 0.25 |
| Tstart (C) | 35. | 60. |
| Tend (C) | 250. | 220. |
| Heat rate (K/min) | 4. | 3. |
| Initial hold (min) | 0.5 | |
| Final hold (min) | ||
| I | 1312. | 1303. |
| Reference | Farkas, Sádecká, et al., 1997 | Guntert, Brüning, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chen, Song, et al., 2009
Chen, G.; Song, H.; Ma, C.,
Aroma-active aompounds of Beijing roast duck,
Flavour Fragr. J., 2009, 24, 4, 186-191, https://doi.org/10.1002/ffj.1932
. [all data]
Kishimoto, Wanikawa, et al., 2006
Kishimoto, T.; Wanikawa, A.; Kono, K.; Shibata, K.,
Comparison of the Odor-Active Compounds in Unhopped Beer and Beers Hopped with Different Hop Varieties,
J. Agric. Food Chem., 2006, 54, 23, 8855-8861, https://doi.org/10.1021/jf061342c
. [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
. [all data]
Culleré, Escudero, et al., 2004
Culleré, L.; Escudero, A.; Cacho, J.; Ferreira, V.,
Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium auality Spanish aged red wines,
J. Agric. Food Chem., 2004, 52, 6, 1653-1660, https://doi.org/10.1021/jf0350820
. [all data]
Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A.,
Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles,
Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322
. [all data]
Akiyama, Murakami, et al., 2003
Akiyama, M.; Murakami, K.; Ohtani, N.; Iwatsuki, K.; Sotoyama, K.; Wada, A.; Tokuno, K.; Iwabuchi, H.; Tanaka, K.,
Analysis of volatile compounds released during the grinding of roasted coffee beans using solid-phase microextraction,
J. Agric. Food Chem., 2003, 51, 7, 1961-1969, https://doi.org/10.1021/jf020724p
. [all data]
López, Ortín, et al., 2003
López, R.; Ortín, N.; Pérez-Trujillo, J.P.; Cacho, J.; Ferreira, V.,
Impact odorants of different young white wines from the Canary islands,
J. Agric. Food Chem., 2003, 51, 11, 3419-3425, https://doi.org/10.1021/jf026045w
. [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,
J. Agric. Food Chem., 2002, 50, 14, 4048-4054, https://doi.org/10.1021/jf0115645
. [all data]
Lin, Rouseff, et al., 2002
Lin, J.; Rouseff, R.L.; Barros, S.; Naim, M.,
Aroma composition changes in early season grapefruit juice produced from thermal concentration,
J. Agric. Food Chem., 2002, 50, 4, 813-819, https://doi.org/10.1021/jf011154g
. [all data]
Sanz, Czerny, et al., 2002
Sanz, C.; Czerny, M.; Cid, C.; Schieberle, P.,
Comparison of potent odorants in a filtered coffee brew and in an instant coffee beverage by aroma extract dilution analysis (AEDA),
Eur. Food Res. Technol., 2002, 214, 4, 299-302, https://doi.org/10.1007/s00217-001-0459-9
. [all data]
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,
J. Agric. Food Chem., 2001, 49, 6, 2924-2929, https://doi.org/10.1021/jf001372u
. [all data]
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,
J. Agric. Food Chem., 2001, 49, 10, 4818-4824, https://doi.org/10.1021/jf010283u
. [all data]
Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R.,
Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine,
J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i
. [all data]
Farkas, Sádecká, et al., 1997
Farkas, P.; Sádecká, J.; Kovác, M.; Siegmund, B.; Leitner, E.; Pfannhauser, W.,
Key odourants of pressure-cooked hen meat,
Food Chem., 1997, 60, 4, 617-621, https://doi.org/10.1016/S0308-8146(97)00042-3
. [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]
Notes
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.