2-Furfurylthiol
- Formula: C5H6OS
- Molecular weight: 114.166
- IUPAC Standard InChI: InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2
- IUPAC Standard InChIKey: ZFFTZDQKIXPDAF-UHFFFAOYSA-N
- CAS Registry Number: 98-02-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Furanmethanethiol; Furfuryl mercaptan; Furfuryl thiol; 2-Furylmethanethiol; 2-Furylmethyl mercaptan; α-Furfuryl mercaptan; USAF B-58; 2-Furanmethanthiol; 2-Mercaptomethylfuran; Furan-2-yl-methanethiol
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- Other data available:
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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 | SE-54 | HP-1 | DB-5 MS |
| Column length (m) | 30. | 30. | 50. | 60. | |
| Carrier gas | Hydrogen | Helium | Helium | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.20 | 0.32 | |
| Phase thickness (μm) | 0.50 | 0.25 | 0.33 | 1.0 | |
| 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 | 35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0C | not specified | 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) |
| I | 907. | 913. | 911. | 878. | 912. |
| Reference | San-Juan, Petka, et al., 2010 | Xu, He, et al., 2010 | Christlbauer and Schieberle, 2009 | Breme, Langle, et al., 2008 | Liu, Xu, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-1 | HP-1 | SE-30 | DB-5 | DB-5 |
| Column length (m) | 50. | 12. | 30. | 30. | |
| Carrier gas | He | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.53 | 0.25 | |
| Phase thickness (μm) | 0.52 | 0.52 | 1.5 | 0.25 | |
| Program | 40C => 2C/min => 130C => 4C/min => 250C (25min) | 35C(3min) => 6C/min => 190C => 30C/min => 225C | not specified | -5C(1min) => 4C/min => 50C => 6C/min => 120C => 8C/min => 250C(2min) | 35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min) |
| I | 890. | 892. | 890. | 906. | 911. |
| Reference | Senger-Emonnot, Rochard, et al., 2006 | Carpino, Mallia, et al., 2004 | Vinogradov, 2004 | Bücking and Steinhart, 2002 | Lin, Fay, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | Methyl Silicone | SE-54 | DB-1 |
| Column length (m) | 30. | 30. | 60. | ||
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
| Phase thickness (μm) | 0.25 | 1.0 | |||
| Program | 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C | not specified | not specified | 0C (2min) => 6C/min => 50C (2min) => 6C/min => 230 C (10min) | 35 0C (5 min), 2 0C/min to 150 0C, 3 0C/min to 260 0C (30 min) |
| I | 910. | 912. | 880. | 912. | 883. |
| Reference | Matsui, Guth, et al., 1998 | Schieberle, 1996 | Misharina, 1995 | Guth and Grosch, 1994 | Ruther and Baltes, 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Packed |
|---|---|---|---|
| Active phase | SE-54 | SE-54 | Apiezon M |
| Column length (m) | 5.6 | ||
| Carrier gas | N2 | ||
| Substrate | Chromosorb W AW/DMCS | ||
| Column diameter (mm) | |||
| Phase thickness (μm) | |||
| Program | not specified | not specified | 60C(7min), 100C(7min), 150C isothermal |
| I | 912. | 913. | 910. |
| Reference | Guth and Grosch, 1993 | Blank, Sen, et al., 1992 | Golovnya, Misharina, et al., 1983 |
| 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,
Food Chemistry, 2010, 123, 1, 188-195, https://doi.org/10.1016/j.foodchem.2010.03.129
. [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]
Christlbauer and Schieberle, 2009
Christlbauer, M.; Schieberle, P.,
Characterization of the key aroma compounds in beef and pork vegetable gravies a la chef by application of the aroma extract dilution analysis,
J. Agric. Food Chem., 2009, 57, 19, 9114-9112, https://doi.org/10.1021/jf9023189
. [all data]
Breme, Langle, et al., 2008
Breme, K.; Langle, S.; Fernandez, X.; Meierhenrich, U.J.; Brevard, H.; Joulain, D.,
Character impact odorants from Brassicaceae by aroma extracts dilution analysis (AEDA): Brassica cretica and Brassica insularis,
Flavour Fragr. J., 2008, 24, 2, 88-93, https://doi.org/10.1002/ffj.1912
. [all data]
Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H.,
Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques,
Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x
. [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]
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,
Flavour Fragr. J., 2004, 19, 4, 293-297, https://doi.org/10.1002/ffj.1346
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Bücking and Steinhart, 2002
Bücking, M.; Steinhart, H.,
Headspace GC and sensory analysis characterization of the influence of different milk additives on the flavor release of coffee beverages,
J. Agric. Food Chem., 2002, 50, 6, 1529-1534, https://doi.org/10.1021/jf011117p
. [all data]
Lin, Fay, et al., 2000
Lin, J.; Fay, L.B.; Blank, I.,
Aroma impact compounds formed in meat-like model systems containing cysteine, ribose, and phospholipids
in Frontiers of Flavour Science, Scheberle, P.; Engel, K.-H., ed(s)., Deutsche Forschungsanstalt fur Lebensmittelchemie, Garching, 2000, 498-502. [all data]
Matsui, Guth, et al., 1998
Matsui, T.; Guth, H.; Grosch, W.,
A comparative study of potent odorants in peanut, hazelnut, and pumpkin seed oils on the basis of aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry of headspace samples (GCOH),
Lipid - Fett, 1998, 100, 2, 51-56, https://doi.org/10.1002/(SICI)1521-4133(199802)100:2<51::AID-LIPI51>3.0.CO;2-W
. [all data]
Schieberle, 1996
Schieberle, P.,
Odour-active compounds in moderately roasted sesame,
Food Chem., 1996, 55, 2, 145-152, https://doi.org/10.1016/0308-8146(95)00095-X
. [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]
Guth and Grosch, 1994
Guth, H.; Grosch, W.,
Identification of the character impact odorants of stewed beef juice by instrumental analyses and sensory studies,
J. Agric. Food Chem., 1994, 42, 12, 2862-2866, https://doi.org/10.1021/jf00048a039
. [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]
Guth and Grosch, 1993
Guth, H.; Grosch, W.,
12-Methyltridecanal, a species-specific odorant of stewed beef,
Lebensm. Wiss. Technol., 1993, 26, 2, 171-177, https://doi.org/10.1006/fstl.1993.1035
. [all data]
Blank, Sen, et al., 1992
Blank, I.; Sen, A.; Grosch, W.,
Potent odorants of the roasted powder and brew of Arabica coffee,
Z. Lebensm. Unters Forsch., 1992, 195, 3, 239-245, https://doi.org/10.1007/BF01202802
. [all data]
Golovnya, Misharina, et al., 1983
Golovnya, R.V.; Misharina, T.A.; Garbuzov, V.G.; Medvedyev, F.A.,
Volatile sulfur containing compounds in simulated meat flavour and their comparison with the constituents of natural aroma,
Nahrung, 1983, 27, 3, 237-249, https://doi.org/10.1002/food.19830270314
. [all data]
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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