Methyl n-butyl disulfide
- Formula: C5H12S2
- Molecular weight: 136.279
- IUPAC Standard InChI: InChI=1S/C5H12S2/c1-3-4-5-7-6-2/h3-5H2,1-2H3
- IUPAC Standard InChIKey: ABUPWXCYFWRZKL-UHFFFAOYSA-N
- CAS Registry Number: 60779-24-0
- 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: Methyl n-butyl disulphide; Disulfide, butyl methyl; Methyl butyl disulfide; 2,3-Diathiaheptane; Butyl methyl disulfide; 1-(Methyldisulfanyl)butane; 2,3-Dithiaheptane
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | H.J. MOECKEL & J. WEISS, HAHN-MEITNER-INST. BERLIN, W. G+ |
| NIST MS number | 75500 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apiezon M | 130. | 1044. | Garbuzov, Misharina, et al., 1985 | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 110. | 1351. | Möckel and Zolg, 1977 | He, Chromosorb W AW (80-100 mesh); Column length: 6. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1016. | Pino, Fuentes, et al., 2001 | He, 60. C @ 4. min, 4. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tend: 250. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 986. | Misharina, Golovnya, et al., 1991 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Apieson M | 1044. | Gao, Wang, et al., 2003 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PEG-1000 | 1366. | Gao, Wang, et al., 2003 | Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Möckel and Zolg, 1977
Möckel, H.J.; Zolg, M.,
Retentionsindices n-aliphatischer Schwefelverbindungen,
Z. Anal. Chem., 1977, 285, 1, 45-46, https://doi.org/10.1007/BF00446017
. [all data]
Pino, Fuentes, et al., 2001
Pino, J.A.; Fuentes, V.; Correa, M.T.,
Volatile constituents of Chinese chive (Allium tuberosum Rottl. ex Sprengel) and Rakkyo (Allium chinense G. Don),
J. Agric. Food Chem., 2001, 49, 3, 1328-1330, https://doi.org/10.1021/jf9907034
. [all data]
Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V.,
Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae,
Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]
Gao, Wang, et al., 2003
Gao, Y.; Wang, Y.; Yao, X.; Zhang, X.; Liu, M.; Hu, Z.; Fan, B.,
The prediction for gas chromatographic retention index of disulfides on stationary phases of different polarity,
Talanta, 2003, 59, 2, 229-237, https://doi.org/10.1016/S0039-9140(02)00500-3
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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