Thiophene, 2-methyl-
- Formula: C5H6S
- Molecular weight: 98.166
- IUPAC Standard InChIKey: XQQBUAPQHNYYRS-UHFFFAOYSA-N
- CAS Registry Number: 554-14-3
- 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: 2-Methylthiophene; 2-Methylthiacyclopentadiene; 2-methylthiacyclopentadiene (2-methylthiophene)
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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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane | DB-5 MS | DB-1 |
Column length (m) | 60. | 20. | |||
Carrier gas | Helium | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.18 | |||
Phase thickness (μm) | 1.0 | 0.18 | |||
Program | not specified | not specified | 40 0C 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C | 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) | not specified |
I | 775. | 780. | 773. | 773. | 745. |
Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Xu, He, et al., 2010 | Liu, Xu, et al., 2007 | Chantreau, Rochat, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | SE-30 | SPB-5 | BPX-5 | PONA |
Column length (m) | 20. | 60. | 60. | 50. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.18 | 0.32 | 0.32 | 0.20 | |
Phase thickness (μm) | 0.18 | 1. | 1. | 0.50 | |
Program | not specified | not specified | not specified | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | not specified |
I | 748. | 775. | 771. | 772. | 752. |
Reference | Chantreau, Rochat, et al., 2006 | Vinogradov, 2004 | Begnaud, Pérès, et al., 2003 | Machiels, van Ruth, et al., 2003 | Yang, Wang, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | Methyl Silicone | SE-30 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | Apiezon M |
Column length (m) | 25. | 50. | 50. | 5.6 | |
Carrier gas | Hydrogen | Hydrogen | N2 | ||
Substrate | Chromosorb W AW/DMCS | ||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | ||
Phase thickness (μm) | |||||
Program | not specified | not specified | not specified | not specified | 60C(7min), 100C(7min), 150C isothermal |
I | 762. | 763. | 755. | 757. | 798. |
Reference | Misharina, 1995 | P'yanova, Zvereva, et al., 1987 | Waggott and Davies, 1984 | Waggott and Davies, 1984 | Golovnya, Misharina, et al., 1983 |
Comment | MSDC-RI | MSDC-RI | 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.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [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]
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]
Chantreau, Rochat, et al., 2006
Chantreau, A.; Rochat, S.; de Saint Laumer, J.-Y.,
Re-investigation of sulfur impact odorants in roast beef using comprehensive two-dimensional GC-TOF-MS and the GC-SNIF,
Developments Food. Sci., 2006, 43, 601-604. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L.,
Characterization of volatile effluents of livestock buildings by solid-phase microextraction,
Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349
. [all data]
Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L.,
Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats,
Talanta, 2003, 60, 4, 755-764, https://doi.org/10.1016/S0039-9140(03)00133-4
. [all data]
Yang, Wang, et al., 2003
Yang, Y.-T.; Wang, Z.; Han. J.-H.; Tian, H.-P.; Yang, H.-Y.,
Determination of sulfur compounds in gasoline fraction of microreactor products by gas chromatography - Atomic emission detector,
Petrochemical Technology (Shiyou Huagong), 2003, 32, 11, 995-998. [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]
P'yanova, Zvereva, et al., 1987
P'yanova, V.P.; Zvereva, M.N.; Tsypysheva, LG.; Portnova, T.V.; Kruglov, E.A.,
Investigating the products of thiophane synthesis, Abstr. IX All-Union Conference on Gas Chromatography, Kuibyshev State University, Kuibyshev, 1987, 308. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [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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