Thiophene
- Formula: C4H4S
- Molecular weight: 84.140
- IUPAC Standard InChIKey: YTPLMLYBLZKORZ-UHFFFAOYSA-N
- CAS Registry Number: 110-02-1
- 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: Thiacyclopentadiene; CP 34; Furan, thio-; Huile HSO; Huile H50; Thiaphene; Thiofuram; Thiofuran; Thiofurfuran; Thiole; Thiophen; Thiotetrole; Divinylene sulfide; USAF EK-1860; Thiofen; UN 2414; Hopkin's lactic acid reagent; NSC 405073
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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 | HP-5 | SE-30 | SPB-5 | BPX-5 | PONA |
Column length (m) | 60. | 60. | 60. | 50. | |
Carrier gas | Helium | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.20 | |
Phase thickness (μm) | 0.25 | 1. | 1. | 0.50 | |
Program | 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) | not specified | not specified | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | not specified |
I | 665. | 650. | 665. | 667. | 647. |
Reference | Rotsatschakul, Visesanguan, et al., 2009 | 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 | Capillary |
---|---|---|---|---|---|
Active phase | Apiezon L | DB-5 MS | SPB-1 | Methyl Silicone | SE-30 |
Column length (m) | 30. | 30. | 25. | ||
Carrier gas | Helium | H2 | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | ||
Phase thickness (μm) | 1.0 | 4. | |||
Program | not specified | not specified | 35(1)-10 -> 55-25 ->250 | not specified | not specified |
I | 694. | 680. | 651. | 653. | 665. |
Reference | Finkelstein, Kurbatova, et al., 2002 | Luo and Agnew, 2001 | Nedjma and Maujean, 1995 | Zenkevich and Kuznetsova, 1990 | P'yanova, Zvereva, et al., 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed |
---|---|---|---|
Active phase | OV-101 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | Apiezon M |
Column length (m) | 50. | 5.6 | |
Carrier gas | Hydrogen | N2 | |
Substrate | Chromosorb W AW/DMCS | ||
Column diameter (mm) | 0.32 | ||
Phase thickness (μm) | |||
Program | not specified | not specified | 60C(7min), 100C(7min), 150C isothermal |
I | 650. | 647. | 700. |
Reference | Shibamoto, 1987 | Waggott and Davies, 1984 | Golovnya, Misharina, et al., 1983 |
Comment | 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.
Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S.,
Changes in volatile compounds during fermentation of nham (Thai fermented sausage),
Int. Food Res. J., 2009, 16, 391-414. [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]
Finkelstein, Kurbatova, et al., 2002
Finkelstein, E.E.; Kurbatova, S.V.; Kolosova, E.A.,
Study of biological activity of structure analogies of adamantane,
Proc. Samara State Univ., 2002, 26, 4, 121-128. [all data]
Luo and Agnew, 2001
Luo, J.; Agnew, M.P.,
Gas characteristics before and after biofiltration treating odorous emissions from animal rendering processes,
Environ. Technol., 2001, 22, 9, 1091-1103, https://doi.org/10.1080/09593332208618220
. [all data]
Nedjma and Maujean, 1995
Nedjma, M.; Maujean, A.,
Improved chromatographic analysis of volatile sulfur compounds by the static headspace technique on water-alcohol solutions and brandies with chemiluminescence detection,
J. Chromatogr. A, 1995, 704, 2, 495-502, https://doi.org/10.1016/0021-9673(95)00218-C
. [all data]
Zenkevich and Kuznetsova, 1990
Zenkevich, I.G.; Kuznetsova, L.M.,
Logic Criteria on Prediction of Gas Chromatographic Retention Indices from Physico-Chemical Properties of Organic Compounds,
Dokl. Akad. Nauk SSSR, 1990, 315, 4, 881-885. [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]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [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
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