2-Furfurylthiol
- Formula: C5H6OS
- Molecular weight: 114.166
- 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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Van Den Dool and Kratz RI, 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-Wax | DB-FFAP | HP-FFAP | FFAP | FFAP |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | H2 | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min) | 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min) | 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min) | 40C (2min) => 40C/min => 60C (1min) => 6C/min => 230C (15min) | 35C(2min) => 40C/min => 60C(5min) => 6C/min => 230C(15min) |
I | 1439. | 1435. | 1443. | 1425. | 1431. |
Reference | Escudero, Campo, et al., 2007 | Huynh-Ba, Matthey-Doret, et al., 2003 | Carrapiso, Ventanas, et al., 2002 | Engel and Schieberle, 2002 | Hofmann and Schieberle, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | FFAP | FFAP | FFAP | FFAP |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.21 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 0C(5min) => fast => 60C(5min) => 4C/min => 220C(20min) | 40C (2min) => 40C/min => 60C (5min) => 6C/min => 230C (15min) | 40C (2min) => 40C/min => 60C (5min) => 6C/min => 230C (15min) | 40C (2min) => 40C/min => 60C (2min) => 240C (10min) | 40C (2min) => 40C/min => 60C (5min) => 6C/min => 230C (15min) |
I | 1420. | 1431. | 1431. | 1414. | 1431. |
Reference | Madruga and Mottram, 1998 | Hofmann and Schieberle, 1997 | Hofmann and Schieberle, 1997 | Münch, Hofmann, et al., 1997 | Hofmann and Schieberle, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | FFAP |
Column length (m) | 30. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | 0.25 |
Program | 40C (2min) => 40C/min => 60C (5min) => 6C/min => 230C (15min) |
I | 1431. |
Reference | Hofmann and Schieberle, 1995 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
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]
Huynh-Ba, Matthey-Doret, et al., 2003
Huynh-Ba, T.; Matthey-Doret, W.; Fay, L.B.; Rhlid, R.B.,
Generation of thiols by biotransformation of cysteine-aldehyde conjugates with Baker's yeast,
J. Agric. Food Chem., 2003, 51, 12, 3629-3635, https://doi.org/10.1021/jf026198j
. [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]
Engel and Schieberle, 2002
Engel, W.; Schieberle, P.,
Identification and quantitation of key aroma compounds formed in Maillard-type reactions of fructose with cysteamine or isothiaproline (1,3-thiazolidine-2-carboxylic acid),
J. Agric. Food Chem., 2002, 50, 19, 5394-5399, https://doi.org/10.1021/jf0203186
. [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]
Madruga and Mottram, 1998
Madruga, M.S.; Mottram, D.S.,
The effect of pH on the formation of volatile compounds produced by heating a model system containing 5'-imp and cysteine,
J. Braz. Chem. Soc., 1998, 9, 3, 261-271, https://doi.org/10.1590/S0103-50531998000300010
. [all data]
Hofmann and Schieberle, 1997
Hofmann, T.; Schieberle, P.,
Identification of potent aroma compounds in thermally treated mixtures of glucose/cysteine and rhamnose/cysteine using aroma extract dilution techniques,
J. Agric. Food Chem., 1997, 45, 3, 898-906, https://doi.org/10.1021/jf960456t
. [all data]
Münch, Hofmann, et al., 1997
Münch, P.; Hofmann, T.; Schieberle, P.,
Comparison of key odorants generated by thermal treatment of commercial and self-prepared yeast extracts: influence of the amino acid composition on odorant formation,
J. Agric. Food Chem., 1997, 45, 4, 1338-1344, https://doi.org/10.1021/jf960658p
. [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]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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