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, polar column, custom temperature program
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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 | HP-Innowax | HP-Innowax | FFAP |
| Column length (m) | 30. | 30. | 60. | 60. | 30. |
| Carrier gas | Hydrogen | Helium | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.50 | 0.50 | 0.25 | 0.25 | 0.25 |
| Program | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (40 min) | 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) | not specified | 35C(1min) => 60C/min => 60C => 6C/min => 230C |
| I | 1436. | 1436. | 1444. | 1421. | 1456. |
| Reference | San-Juan, Petka, et al., 2010 | Ferreira, Juan, et al., 2009 | Viegas and Bassoli, 2007 | Viegas and Bassoli, 2007 | Didzbalis, Ritter, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-FFAP | FFAP | FFAP | FFAP | FFAP |
| Column length (m) | 30. | ||||
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | ||||
| Phase thickness (μm) | 0.25 | ||||
| Program | 35 0C (2 min) 40 K/min -> 60 0C (1 min) 6 K/min -> 240 0C | not specified | not specified | not specified | not specified |
| I | 1432. | 1450. | 1428. | 1428. | 1440. |
| Reference | Mayer and Grosch, 2001 | Blank, Stampfli, et al., 1994 | Guth and Grosch, 1994 | Guth and Grosch, 1993 | Blank, Sen, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
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]
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]
Viegas and Bassoli, 2007
Viegas, M.C.; Bassoli, D.G.,
Utilizacao do indice de retencao linear para caracterizacao de compostos volateis em cafe soluvel utilizando GC-MS e coluna HP-Innowax,
Quim. Nova, 2007, 30, 8, 2031-2034, https://doi.org/10.1590/S0100-40422007000800040
. [all data]
Didzbalis, Ritter, et al., 2004
Didzbalis, J.; Ritter, K.A.; Trail, A.C.; Plog, F.J.,
Identification of fruity/fermented odorants in high-temperature-cured roasted peanuts,
J. Agric. Food Chem., 2004, 52, 15, 4828-4833, https://doi.org/10.1021/jf0355250
. [all data]
Mayer and Grosch, 2001
Mayer, F.; Grosch, W.,
Aroma simulation on the basis of the odourant composition of roasted coffee headspace,
Flavour Fragr. J., 2001, 16, 3, 180-190, https://doi.org/10.1002/ffj.975
. [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]
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]
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]
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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