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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Van Den Dool and Kratz 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 | BP-20 | DB-Wax | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB |
Column length (m) | 50. | 30. | 50. | 50. | 50. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.22 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | |||
Tstart (C) | 45. | 40. | 60. | 60. | 60. |
Tend (C) | 230. | 265. | 220. | 220. | 220. |
Heat rate (K/min) | 3. | 7. | 4. | 4. | 4. |
Initial hold (min) | 10. | 5. | 5. | 5. | |
Final hold (min) | 20. | 5. | 30. | 30. | 30. |
I | 1341. | 1323. | 1305. | 1310. | 1310. |
Reference | Sarrazin E., Shinkaruk S., et al., 2007 | Gurbuz O., Rouseff J.M., et al., 2006 | Mahadevan and Farmer, 2006 | Mahadevan and Farmer, 2006 | Mahadevan and Farmer, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.53 |
Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 1. | 1. |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 200. | 240. | 275. | 200. | 200. |
Heat rate (K/min) | 5. | 6. | 7. | 10. | 10. |
Initial hold (min) | 3. | 10. | 5. | 5. | |
Final hold (min) | 8. | 25. | 30. | 30. | |
I | 1313. | 1305. | 1305. | 1311. | 1310. |
Reference | Petka, Ferreira, et al., 2006 | Varming, Petersen, et al., 2004 | Dreher, Rouseff, et al., 2003 | Wu and Cadwallader, 2002 | Wu and Cadwallader, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | CP-Wax 52CB | CP-Wax 52CB |
Column length (m) | 60. | 60. | 60. | 50. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 30. | 30. | 30. | 60. | 40. |
Tend (C) | 220. | 220. | 220. | 220. | 220. |
Heat rate (K/min) | 6. | 6. | 6. | 4. | 4. |
Initial hold (min) | 4. | 4. | 4. | 5. | 5. |
Final hold (min) | 10. | 10. | 10. | 30. | 30. |
I | 1357. | 1357. | 1358. | 1314. | 1321. |
Reference | Bezman, Rouseff, et al., 2001 | Bezman, Rouseff, et al., 2001 | Bezman, Rouseff, et al., 2001 | Chevance and Farmer, 1999 | Chevance and Farmer, 1999, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-Wax | CP-WAX 57CB | CP-WAX 57CB |
Column length (m) | 60. | 50. | 50. |
Carrier gas | He | He | He |
Substrate | |||
Column diameter (mm) | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | ||
Tstart (C) | 35. | 60. | 60. |
Tend (C) | 210. | 200. | 200. |
Heat rate (K/min) | 2. | 4. | 4. |
Initial hold (min) | 5. | 5. | 5. |
Final hold (min) | 30. | 10. | 10. |
I | 1305. | 1292. | 1295. |
Reference | Ruther and Baltes, 1994 | Whitfield, Mottram, et al., 1988 | Whitfield, Mottram, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Sarrazin E., Shinkaruk S., et al., 2007
Sarrazin E.; Shinkaruk S.; Bennetau B.; Frerot E.; Dubourdieu D.,
Odorous impact of volatile thiols on the aroma of young botrytized sweet wines: Identification and quantification of new sulfanyl alcohols,
J. Agric. Food Chem., 2007, 55, 4, 1437-1444, https://doi.org/10.1021/jf062582v
. [all data]
Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L.,
Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry,
J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p
. [all data]
Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x
. [all data]
Petka, Ferreira, et al., 2006
Petka, J.; Ferreira, V.; González-Viñas, M.A.; Cacho, J.,
Sensory and Chemical Characterization of the Aroma of a White Wine Made with Devín Grapes,
J. Agric. Food Chem., 2006, 54, 3, 909-915, https://doi.org/10.1021/jf0518397
. [all data]
Varming, Petersen, et al., 2004
Varming, C.; Petersen, M.A.; Poll, L.,
Comparison of isolation methods for the determination of important aroma compounds in black currant (Ribes nigrum L.) juice, using nasal impact frequency profiling,
J. Agric. Food Chem., 2004, 52, 6, 1647-1652, https://doi.org/10.1021/jf035133t
. [all data]
Dreher, Rouseff, et al., 2003
Dreher, J.G.; Rouseff, R.L.; Naim, M.,
GC-olfactometric characterization of aroma volatiles from the thermal degradation of thiamin in model orange juice,
J. Agric. Food Chem., 2003, 51, 10, 3097-3102, https://doi.org/10.1021/jf034023j
. [all data]
Wu and Cadwallader, 2002
Wu, Y.-F.G.; Cadwallader, K.R.,
Characterization of the aroma of a meatlike process flavoring from soybean-based enzyme-hydrolyzed vegetable protein,
J. Agric. Food Chem., 2002, 50, 10, 2900-2907, https://doi.org/10.1021/jf0114076
. [all data]
Bezman, Rouseff, et al., 2001
Bezman, Y.; Rouseff, R.L.; Naim, M.,
2-Methyl-3-furanthiol and methional are possible off-flavors in stored orange juice: aroma-similarity, NIF/SNIF GC-O, and GC analyses,
J. Agric. Food Chem., 2001, 49, 11, 5425-5432, https://doi.org/10.1021/jf010724+
. [all data]
Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J.,
Identification of major volatile odor compounds in frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d
. [all data]
Chevance and Farmer, 1999, 2
Chevance, F.F.V.; Farmer, L.J.,
Release of volatile odor compounds from full-fat and reduced-fat frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166
. [all data]
Ruther and Baltes, 1994
Ruther, J.; Baltes, W.,
Sulfur-containing furans in commercial meat flavorings,
J. Agric. Food Chem., 1994, 42, 10, 2254-2259, https://doi.org/10.1021/jf00046a032
. [all data]
Whitfield, Mottram, et al., 1988
Whitfield, F.B.; Mottram, D.S.; Brock, S.; Puckey, D.J.; Salter, L.J.,
Effect of Phospholipid on the Formation of Volatile Heterocyclic Compounds in Heated Aqueous Solutions of Amino Acids and Ribose,
J. Sci. Food Agric., 1988, 42, 3, 261-272, https://doi.org/10.1002/jsfa.2740420309
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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
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