2-Methyl-1,3-dithiacyclopentane

Formula: C₄H₈S₂
Molecular weight: 120.236
IUPAC Standard InChI: InChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
IUPAC Standard InChIKey: CARJCVDELAMAEJ-UHFFFAOYSA-N
CAS Registry Number: 5616-51-3
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: 1,3-Dithiolane, 2-methyl-; 2-Methyl-1,3-dithiolane
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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	130.	996.	Misharina and Golovnya, 1994	He; Column length: 50. m; Column diameter: 0.32 mm
Capillary	OV-101	150.	1014.	Misharina and Golovnya, 1994	He; Column length: 50. m; Column diameter: 0.32 mm
Capillary	SE-52	130.	1030.	Misharina and Golovnya, 1994	60. m/0.32 mm/2. μm, He
Capillary	OV-101	130.	996.	Misharina, Golovnya, et al., 1993	50. m/0.32 mm/0.5 μm, He
Packed	Apiezon M	130.	1027.	Garbuzov, Misharina, et al., 1985	He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m

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

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Column type	Active phase	I	Reference	Comment
Capillary	OV-101	973.	Misharina and Golovnya, 1994	He, 50. C @ 0. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; T_end: 200. C
Capillary	SE-52	1021.	Misharina and Golovnya, 1994	60. m/0.32 mm/2. μm, He, 50. C @ 0. min, 4. K/min; T_end: 200. C
Capillary	DB-1	971.	Zhang and Ho, 1991	60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; T_start: 40. C
Capillary	DB-1	965.	Zhang and Ho, 1989	60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; T_start: 40. C
Capillary	DB-1	958.	Zhang, Chien, et al., 1988	60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; T_start: 40. C

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1438.	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

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	982.	Güntert, Bertram, et al., 1992	60. m/0.32 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 220. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Packed	Apiezon M	1025.	Golovnya, Misharina, et al., 1983	N2, Chromosorb W AW/DMCS; Column length: 5.6 m; Program: 60C(7min), 100C(7min), 150C isothermal

References

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Misharina and Golovnya, 1994
Misharina, T.A.; Golovnya, R.V., Spectral and gas-chromatographic characterization of 4-methyl-2-alkyl substituted 1,3-oxothiolanes and 1,3-dithiolanes, Zh. Anal. Khim., 1994, 49, 4, 395-401. [all data]

Misharina, Golovnya, et al., 1993
Misharina, T.A.; Golovnya, R.V.; Beletsky, I.V., Sorption properties of heterocyclic compounds differing by heteroatom in capillary gas chromatography, Russ. Chem. Bull. (Engl. Transl.), 1993, 42, 7, 1167-1170, https://doi.org/10.1007/BF00701998 . [all data]

Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V., Gas chromatographic retention indices for sulphur(II)-containing organic substances, J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]

Zhang and Ho, 1991
Zhang, Y.; Ho, C.-T., Comparison of the volatile compounds formed from the thermal reaction of glucose with cysteine and glutathione, J. Agric. Food Chem., 1991, 39, 4, 760-763, https://doi.org/10.1021/jf00004a029 . [all data]

Zhang and Ho, 1989
Zhang, Y.; Ho, C.-T., Volatile compounds formed from thermnal interaction of 2,4-decadienal with cysteine and glutathione, J. Agric. Food Chem., 1989, 37, 4, 1016-1020, https://doi.org/10.1021/jf00088a044 . [all data]

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, J. Agric. Food Chem., 1988, 36, 5, 992-996, https://doi.org/10.1021/jf00083a022 . [all data]

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, J. Agric. Food Chem., 1994, 42, 8, 1743-1746, https://doi.org/10.1021/jf00044a032 . [all data]

Güntert, Bertram, et al., 1992
Güntert, M.; Bertram, H.-J.; Hopp, R.; Silberzahn, W.; Sommer, H.; Werkhoff, P., Thermal generation of flavor compounds from thiamin and various amino acids in Recent developments in flavor and fragrance chemistry. Proceedings of the 3rd International Haarmann Reimer Symposium, Hopp,R.; Mori,K., ed(s)., VCH Publishers, New York, 1992, 215-240. [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

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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