2,7-Dimethyldibenzothiophene
- Formula: C14H12S
- Molecular weight: 212.310
- IUPAC Standard InChI: InChI=1S/C14H12S/c1-9-4-6-13-12(7-9)11-5-3-10(2)8-14(11)15-13/h3-8H,1-2H3
- IUPAC Standard InChIKey: PUENKESSSKIEGY-UHFFFAOYSA-N
- CAS Registry Number: 31317-19-8
- 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: Dibenzothiophene, 3,8-dimethyl; Dibenzothiophene, 2,7-dimethyl; 3,8-dimethyl-dibenzothiophene
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Gas Chromatography
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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
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 333.15 | Schade and Andersson, 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 1. min, 10. K/min; Tend: 300. C |
| Capillary | DB-5 | 335.33 | Wang, Fingas, et al., 1994 | 30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C |
| Capillary | SE-30 | 336.57 | Wang, Xue, et al., 1994 | Nitrogen, 4. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 80. C; Tend: 290. C |
| Capillary | CP Sil 8 CB | 336.0 | Bundt, Herbel, et al., 1991 | 50. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
| Capillary | DB-5 | 336.1 | Palmentier, Britten, et al., 1989 | 80. C @ 1. min, 3.5 K/min, 300. C @ 10. min; Column length: 30. m; Column diameter: 0.32 mm |
| Capillary | SE-52 | 336.09 | Vassilaros, Kong, et al., 1982 | 20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 332.02 | Mössner, de Alda, et al., 1999 | 60. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 45 C/min => 150C (2 min) => 2 C/min => 300 C (25 min) |
| Capillary | SE-30 | 336.09 | Wang, Xue, et al., 1994 | Nitrogen; Column length: 25. m; Column diameter: 0.20 mm; Program: not specified |
| Capillary | CP Sil 8 CB | 336.0 | Bundt, Herbel, et al., 1991 | 50. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | CP Sil 8 CB | 336.1 | Bundt, Herbel, et al., 1991 | 50. m/0.25 mm/0.25 μm, He; Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Schade and Andersson, 2006
Schade, T.; Andersson, J.T.,
Speciation of alkylated dibenzothiophenes through correlation of structure and gas chromatographic retention indexes,
J. Chromatogr. A, 2006, 1117, 2, 206-213, https://doi.org/10.1016/j.chroma.2006.03.079
. [all data]
Wang, Fingas, et al., 1994
Wang, Z.; Fingas, M.; Li, K.,
Fractionation of a light crude oil and identification and quantitation of aliphatic, aromatic, and biomarker comopunds by GC-FID and GC-MS, Part II,
J. Chromatogr. Sci., 1994, 32, 9, 367-382, https://doi.org/10.1093/chromsci/32.9.367
. [all data]
Wang, Xue, et al., 1994
Wang, X.; Xue, W.; Zhu, J.; Gu, Y.; Sheng, G.; Fu, J.,
Characterization of polynuclear aromatic sulfur heterocycles in a coal,
J. Fuel Chemistry and Technology, 1994, 22, 2, 196-202. [all data]
Bundt, Herbel, et al., 1991
Bundt, J.; Herbel, W.; Steinhart, H.; Franke, S.; Francke, W.,
Structure-type separation of diesel fuels by solid phase extraction and identification of the two- and three-ring aromatics by capillary GC-mass spectrometry,
J. Hi. Res. Chromatogr., 1991, 14, 2, 91-98, https://doi.org/10.1002/jhrc.1240140205
. [all data]
Palmentier, Britten, et al., 1989
Palmentier, J.-P.F.; Britten, A.J.; Charbonneau, G.M.; Karasek, F.W.,
Determination of polycyclic aromatic hydrocarbons in lubricating oil base stocks using high-performance liquid chromatography and gas chromatography-mass spectrometry,
J. Chromatogr., 1989, 469, 241-251, https://doi.org/10.1016/S0021-9673(01)96459-3
. [all data]
Vassilaros, Kong, et al., 1982
Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L.,
Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices,
J. Chromatogr., 1982, 252, 1-20, https://doi.org/10.1016/S0021-9673(01)88394-1
. [all data]
Mössner, de Alda, et al., 1999
Mössner, S.G.; de Alda, M.J.L.; Sander, L.C.; Lee, M.L.; Wise, S.A.,
Gas chromatographic retention behavior of polycyclic aromatic sulfur heterocyclic compounds, (dibenzothiophene, naphtho[b]thiophenes, benzo[b]naphthothiophenes and alkyl-substituted derivatives) on stationary phases of different selectivity,
J. Chromatogr. A, 1999, 841, 2, 207-228, https://doi.org/10.1016/S0021-9673(99)00363-5
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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