2-Ethylthiacyclohexane

Formula: C₇H₁₄S
Molecular weight: 130.251
IUPAC Standard InChI: InChI=1S/C7H14S/c1-2-7-5-3-4-6-8-7/h7H,2-6H2,1H3
IUPAC Standard InChIKey: GYIFZSXJAVPBLL-UHFFFAOYSA-N
CAS Registry Number: 1613-52-1
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: 2-Ethylthiane; 2-Ethylthiapyran
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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	100.	1024.	Gal'pern, Gollandskikh, et al., 1976	H2; Column length: 100. m; Column diameter: 0.25 mm

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	CP-Sil 8CB-MS	1019.	Elmore, Mottram, et al., 2000	60. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	CP-Sil 5	1011.	Damste, van Dalen, et al., 1988	25. m/0.32 mm/0.45 μm, Helium, 0. C @ 5. min, 3. K/min; T_end: 300. C
Capillary	CP Sil 5 CB	1011.	Damste, Kock-van Dalen, et al., 1988	25. m/0.32 mm/0.45 μm, He, 3. K/min; T_start: 50. C; T_end: 300. C
Capillary	OV-101	1024.	Limin, Jichun, et al., 1988	75. C @ 8. min, 2. K/min; Column length: 25. m; Column diameter: 0.25 mm; T_end: 130. C

References

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Gal'pern, Gollandskikh, et al., 1976
Gal'pern, G.D.; Gollandskikh, N.I.; Gordadze, G.N., Application of methylene-insertion reactions to cyclic sulphides (C₄H₈S, C₅H₁₀S and C₆H₁₂S) to produce standard compounds for gas chromatography, J. Chromatogr., 1976, 124, 1, 43-51, https://doi.org/10.1016/S0021-9673(00)87835-8 . [all data]

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, Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0 . [all data]

Damste, van Dalen, et al., 1988
Damste, J.S.S.; van Dalen, A.C.K.; de Leeuw, J.W.; Schenck, P.A., Identification of homologous series of alkylated thiophenes, thiolanes, thianes and benzothiophenes present in pyrolisates of sulfur-rich kerogenes, J. Chromatogr., 1988, 435, 435-452, https://doi.org/10.1016/S0021-9673(01)82208-1 . [all data]

Damste, Kock-van Dalen, et al., 1988
Damste, J.S.S.; Kock-van Dalen, A.C.; de Leeuw, J.W.; Schenk, P.A., Identification of homologous series of alkylated thiophenes, thiolanes, thianes and benzothiophenes present in pyrolysates of sulphur-rich kerogens, J. Chromatogr., 1988, 435, 435-452, https://doi.org/10.1016/S0021-9673(01)82208-1 . [all data]

Limin, Jichun, et al., 1988
Limin, Z.; Jichun, J.; Shiyi, L.; Keman, S., Identification of sulfur ethers in Jianghan naphtha fractions, Acta Petrolei Sinica, 1988, 4, 1, 100-107. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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