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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Van Den Dool and Kratz 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 | SPB-5 | DB-5 | DB-5 | HP-5 |
Column length (m) | 30. | 30. | 50. | ||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.32 | 0.32 | ||
Phase thickness (μm) | 1.5 | 0.25 | 1.05 | ||
Program | not specified | 40C(1min) => 6C/min => 180C => 20C/min => 280C | 40C(3min) => 3C/min => 180C => 10C/min => 260C(2min) | not specified | 35C (5min) => 10C/min => 150C => 20C/min => 250C (10min) |
I | 860. | 869. | 849. | 861. | 882. |
Reference | Escudero, Campo, et al., 2007 | Majcher and Jelen, 2007 | Moon, Cliff, et al., 2006 | Campo, Ferreira, et al., 2005 | Carrapiso, Jurado, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | HP-5 | SE-54 | SE-54 | DB-5 |
Column length (m) | 50. | 30. | 30. | 50. |
Carrier gas | He | He | ||
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1.05 | 0.25 | 0.25 | |
Program | 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min) | 35C(2min) => 40C/min => 50C(5min) => 6C/min => 230C(15min) | 40C (2min) => 40C/min => 50C (5min) => 6C/min => 230C (15min) | 0C => 60C/min => 60C (5min) => 4C/min => 250C |
I | 882. | 869. | 869. | 870. |
Reference | Carrapiso, Ventanas, et al., 2002 | Hofmann and Schieberle, 1998 | Hofmann and Schieberle, 1995 | Mottram and Whitfield, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Escudero, Campo, et al., 2007
Escudero, A.; Campo, E.; Fariña, L.; Cacho, J.; Ferreira, V.,
Analytical Characterization of the Aroma of Five Premium Red Wines. Insights into the Role of Odor Families and the Concept of Fruitiness of Wines,
J. Agric. Food Chem., 2007, 55, 11, 4501-4510, https://doi.org/10.1021/jf0636418
. [all data]
Majcher and Jelen, 2007
Majcher, M.A.; Jelen, H.H.,
Effect of Cysteine and Cystine Addition on Sensory Profile and Potent Odorants of Extruded Potato Snacks,
J. Agric. Food Chem., 2007, 55, 14, 5754-5760, https://doi.org/10.1021/jf0703147
. [all data]
Moon, Cliff, et al., 2006
Moon, S.-Y.; Cliff, M.A.; Li-Chan, E.C.Y.,
Odour-active components of simulated beef flavour analysed by solid phase microextraction and gas chromatography-mass spectrometry and -olfactometry,
Food Res. Int., 2006, 39, 3, 294-308, https://doi.org/10.1016/j.foodres.2005.08.002
. [all data]
Campo, Ferreira, et al., 2005
Campo, E.; Ferreira, V.; Escudero, A.; Cacho, J.,
Prediction of the wine sensory properties related to grape variety from dynamic-headspace gas chromatography-olfactometry data,
J. Agric. Food Chem., 2005, 53, 14, 5682-5690, https://doi.org/10.1021/jf047870a
. [all data]
Carrapiso, Jurado, et al., 2002
Carrapiso, A.I.; Jurado, Á.; Timón, M.L.; García, C.,
Odor-active compounds of Iberian hams with different aroma characteristics,
J. Agric. Food Chem., 2002, 50, 22, 6453-6458, https://doi.org/10.1021/jf025526c
. [all data]
Carrapiso, Ventanas, et al., 2002
Carrapiso, A.I.; Ventanas, J.; García, C.,
Characterization of the most odor-active compounds of Iberian ham headspace,
J. Agric. Food Chem., 2002, 50, 7, 1996-2000, https://doi.org/10.1021/jf011094e
. [all data]
Hofmann and Schieberle, 1998
Hofmann, T.; Schieberle, P.,
Identification of key aroma compounds generated from cysteine and carbohydrates under roasting conditions,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 229-236, https://doi.org/10.1007/s002170050324
. [all data]
Hofmann and Schieberle, 1995
Hofmann, T.; Schieberle, P.,
Evaluation of the key odorants in a thermally treated solution of ribose and cysteine by aroma extract dilution techniques,
J. Agric. Food Chem., 1995, 43, 8, 2187-2194, https://doi.org/10.1021/jf00056a042
. [all data]
Mottram and Whitfield, 1995
Mottram, D.S.; Whitfield, F.B.,
Volatile compounds from the reaction of cysteine, ribose, and phospholipid in low-moisture systems,
J. Agric. Food Chem., 1995, 43, 4, 984-988, https://doi.org/10.1021/jf00052a027
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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