Thiazole
- Formula: C3H3NS
- Molecular weight: 85.128
- IUPAC Standard InChIKey: FZWLAAWBMGSTSO-UHFFFAOYSA-N
- CAS Registry Number: 288-47-1
- 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: 1,3-Thiazole
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 40.619 | cal/mol*K | N/A | Soulie, Goursot, et al., 1969 | |
S°liquid | 40.619 | cal/mol*K | N/A | Goursot and Westrum, 1968 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
28.920 | 298.15 | Soulie, Goursot, et al., 1969 | T = 4 to 350 K. |
28.920 | 298.15 | Goursot and Westrum, 1968 | T = 5 to 340 K. Glass transition 145 to 175 K. |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Gas Chromatography, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
NIST MS number | 341368 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 110. | 760. | Zhuravleva, 2000 | 50. m/0.3 mm/0.4 μm, He |
Capillary | OV-101 | 110. | 760. | Zhuravleva, Shenderyuk, et al., 1990 | 50. m/0.30 mm/0.40 μm, He |
Packed | Apiezon L | 100. | 729. | Yakush, Golovnya, et al., 1986 | Chromosorb GAW; Column length: 2.5 m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-40M | 110. | 1259. | Zhuravleva, Shenderyuk, et al., 1990 | 50. m/0.30 mm/0.40 μm, He |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 735. | Methven L., Tsoukka M., et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 4. K/min, 260. C @ 10. min |
Capillary | DB-1 | 705. | Rochat S., de Saint Laumer J.Y., et al., 2007 | 20. m/0.18 mm/0.18 μm, 60. C @ 3. min, 8. K/min, 220. C @ 5. min |
Capillary | DB-1 | 709. | Rochat S., de Saint Laumer J.Y., et al., 2007 | 20. m/0.18 mm/0.18 μm, 60. C @ 3. min, 8. K/min, 220. C @ 5. min |
Capillary | CP Sil 8 CB | 739. | Elmore, Campo, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | BPX-5 | 730. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | BPX-5 | 730. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | DB-1 | 706. | Kim, 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C |
Capillary | SE-30 | 686. | Misharina, Golovnya, et al., 1994 | 50. m/0.32 mm/0.25 μm, He, 8. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 707. | Zhang and Ho, 1991 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C |
Capillary | DB-1 | 707. | Zhang and Ho, 1991, 2 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C |
Capillary | DB-1 | 707. | Zhang and Ho, 1989 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C |
Capillary | DB-1 | 707. | Zhang, Chien, et al., 1988 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 694. | Majcher and Jelen, 2007 | 30. m/0.53 mm/1.5 μm; Program: 40C(1min) => 6C/min => 180C => 20C/min => 280C |
Capillary | CP-Sil 8CB-MS | 740. | Elmore, Mottram, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C |
Capillary | DB-5 | 735. | Parker, Hassell, et al., 2000 | 50. m/0.32 mm/0.5 μm, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C |
Capillary | BPX-5 | 760. | Elmore, Mottram, et al., 1999 | 50. m/0.32 mm/0.5 μm, He; Program: 0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1238. | Mahadevan and Farmer, 2006 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | FFAP | 1210. | Calvo-Gómez, Morales-López, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min; Tend: 220. C |
Capillary | DB-Wax | 1244. | Kim, 2001 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min |
Capillary | Supelcowax-10 | 1252. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | DB-Wax | 1265. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1249. | Chung, Eiserich, et al., 1994 | He, 60. C @ 4. min, 3. K/min, 220. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1262. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 711. | Frerot, Velluz, et al., 2008 | 30. m/0.25 mm/1.0 μm, Helium, 60. C @ 5. min, 5. K/min; Tend: 250. C |
Capillary | DB-5 | 728. | Fadel, Mageed, et al., 2006 | He, 60. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C |
Capillary | DB-1 | 726. | Tai and Ho, 1998 | 60. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: 40. C; Tend: 280. C |
Capillary | DB-1 | 709. | Yu, Wu, et al., 1994 | 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | DB-1 | 703. | Yu, Wu, et al., 1994 | 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | DB-1 | 716. | Yu, Wu, et al., 1994, 2 | 60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | DB-5 | 742. | Lee, Macku, et al., 1991 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min; Tend: 250. C |
Capillary | DB-5 | 745. | Macku and Shibamoto, 1991 | He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C |
Capillary | DB-1 | 707. | Guntert, Brüning, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 705. | Chantreau, Rochat, et al., 2006 | 20. m/0.18 mm/0.18 μm; Program: not specified |
Capillary | DB-1 | 709. | Chantreau, Rochat, et al., 2006 | 20. m/0.18 mm/0.18 μm; Program: not specified |
Capillary | SE-30 | 715. | Vinogradov, 2004 | Program: not specified |
Capillary | BPX-5 | 735. | Machiels, van Ruth, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) |
Capillary | CP Sil 5 CB | 740. | Gijs, Piraprez, et al., 2000 | 50. m/0.32 mm/1.2 μm, He; Program: 33C (16.5min) => 2C/min => 160C => 20C/min => 200C (9min) |
Capillary | Methyl Silicone | 688. | Misharina, 1995 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1229. | Puvipirom and Chaisei, 2012 | 15. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C |
Capillary | HP-Wax | 1270. | Sanz, Maeztu, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 1270. | Maeztu, Sanz, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 1270. | Sanz, Ansorena, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | DB-Wax | 1239. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
Capillary | DB-Wax | 1248. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 1247. | Eiserich, Macku, et al., 1992 | He, 60. C @ 4. min, 4. K/min, 180. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | DB-Wax | 1240. | Guntert, Brüning, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | Carbowax 20M | 1235. | Shibamoto and Russell, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Capillary | Carbowax 20M | 1239. | Shibamoto and Russell, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Capillary | Carbowax 20M | 1235. | Shibamoto and Russell, 1976 | N2, 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Capillary | Carbowax 20M | 1240. | Shibamoto and Russell, 1976 | N2, 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1262. | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C |
Capillary | DB-Wax | 1260. | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified |
Capillary | DB-Wax | 1246. | Kim. J.H., Ahn, et al., 2004 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
Capillary | Carbowax 20M | 1246. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Soulie, Goursot, et al., 1969
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J.,
Properties thermochimiques du thiazole,
J. chim. Phys. physicochim. Biol., 1969, 66, 603-606. [all data]
Goursot and Westrum, 1968
Goursot, P.; Westrum, E.F., Jr.,
Heat capacity and thermodynamic functions of thiazole from 5 to 340K,
J. Chem. Eng. Data, 1968, 13, 471-475. [all data]
Zhuravleva, 2000
Zhuravleva, I.L.,
Evaluation of the polarity and boiling points of nitrogen-containing heterocyclic compounds by gas chromatography,
Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 325-328, https://doi.org/10.1007/BF02494682
. [all data]
Zhuravleva, Shenderyuk, et al., 1990
Zhuravleva, I.L.; Shenderyuk, V.V.; Yakush, E.V.; Golovnya, R.V.,
Calculation of retention indexes of alkyloxazoles and alkylthiazoles in capillary chromatography,
Bull. Acad. Sci. USSR, Div. Chem. Sci. (Engl. Transl.), 1990, 6, 6, 1204-1210, https://doi.org/10.1007/BF00962384
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Yakush, Golovnya, et al., 1986
Yakush, E.V.; Golovnya, R.V.; Zhuravleva, I.L.; Grigor'eva, D.N.,
Thermodynamic criterion and its use for identification of alkylthiazols from gas chromatographic data,
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Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S.,
Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar),
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Rochat S., de Saint Laumer J.Y., et al., 2007
Rochat S.; de Saint Laumer J.Y.; Chaintreau A.,
Analysis of sulfur compounds from the in-oven roast beef aroma by comprehensive two-dimensional gas chromatography,
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Elmore, Campo, et al., 2002
Elmore, J.S.; Campo, M.M.; Enser, M.; Mottram, D.S.,
Effect of lipid composition on meat-like model systems containing cysteine, ribose, and polyunsaturated fatty acids,
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Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J.,
Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking,
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Kim, 2001
Kim, J.S.,
Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]
Misharina, Golovnya, et al., 1994
Misharina, T.A.; Golovnya, R.V.; Strashnenko, E.S.; Medvedeva, I.B.,
Sorbtion-structural mass-spectrometric characteristics of volatile components of model systems and flavor compounds with meat odor,
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Zhang and Ho, 1991
Zhang, Y.; Ho, C.-T.,
Formation of meatlike aroma compounds from thermal reaction of inosine 5'-monophosphate with cysteine and glutathione,
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Zhang and Ho, 1991, 2
Zhang, Y.; Ho, C.-T.,
Comparison of the volatile compounds formed from the thermal reaction of glucose with cysteine and glutathione,
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Zhang and Ho, 1989
Zhang, Y.; Ho, C.-T.,
Volatile compounds formed from thermnal interaction of 2,4-decadienal with cysteine and glutathione,
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Zhang, Chien, et al., 1988
Zhang, Y.; Chien, M.; Ho.C.-T.,
Comparison of the volatile compounds obtained from thermal degradation of cysteine and glutathione in water,
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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,
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Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
The effects of diet and breed on the volatile compounds of cooked lamb,
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Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E.,
Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours,
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Elmore, Mottram, et al., 1999
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
Effect of the polyunsaturated fatty acid composition of beef muscle on the profile of aroma volatiles,
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Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
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Calvo-Gómez, Morales-López, et al., 2004
Calvo-Gómez, O.; Morales-López, J.; López, M.G.,
Solid-phase microextraction-gas chromatographic-mass spectrometric analysis of garlic oil obtained by hydrodistillation,
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Chung, 1999
Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
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Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y.,
Headspace gas analysis of fish sauce,
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Chung, Eiserich, et al., 1994
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds produced from peanut oil heated with different amounts of cysteine,
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Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
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Frerot, Velluz, et al., 2008
Frerot, E.; Velluz, A.; Bagnoud, A.; Delort, E.,
Analysis of the volatile constituents of cooked petai beans (Parkia speciosa) using high-resolution GC/TOF-MS,
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Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Lotfy, S.N.,
Quality and flavour stability of coffee substitute prepared by extrusion of wheat germ and chicory roots,
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Tai and Ho, 1998
Tai, C.-Y.; Ho, C.-T.,
Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds,
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. [all data]
Yu, Wu, et al., 1994
Yu, T.-H.; Wu, C.-M.; Ho, C.-T.,
Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliin,
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. [all data]
Yu, Wu, et al., 1994, 2
Yu, T.-H.; Wu, C.-M.; Rosen, R.T.; Hartman, T.G.; Ho, C.-T.,
Volatile compounds in generated from thermal degradation of alliin and deoxyalliin in an aqueous solution,
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. [all data]
Lee, Macku, et al., 1991
Lee, S.-R.; Macku, C.; Shibamoto, T.,
Isolation and identification of headspace volatiles formed in heated butter,
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. [all data]
Macku and Shibamoto, 1991
Macku, C.; Shibamoto, T.,
Volatile sulfur-containing compounds generated from the thermal interaction of corn oil and cysteine,
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. [all data]
Guntert, Brüning, et al., 1990
Guntert, M.; Brüning, J.; Emberger, R.; Köpsel, Ml; Kuhn, W.; Thielmann, T.; Werkhoff, P.,
Identification and formation of some selected sulfur-containing flavor compounds in various meat model systems,
J. Agric. Food Chem., 1990, 38, 11, 2027-2041, https://doi.org/10.1021/jf00101a007
. [all data]
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Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
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