2-Hexanethiol
- Formula: C6H14S
- Molecular weight: 118.240
- IUPAC Standard InChIKey: ABNPJVOPTXYSQW-UHFFFAOYSA-N
- CAS Registry Number: 1679-06-7
- 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: 2-Hexylthiol
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Mass spectrum (electron ionization)
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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
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. |
---|---|
NIST MS number | 2063 |
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, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Apiezon M | 883. | Zhu, Wang, et al., 2007 | Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 93. | 1066.3 | Morishita, Murakita, et al., 1985 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 80. | 1062.1 | Morishita, Murakita, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PEG-20M | 1095. | Zhu, Wang, et al., 2007 | Program: not specified |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DC-200 | 50. | 850. | Leppin, Gollnick, et al., 1969 | Argon; Column length: 100. m |
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.
Zhu, Wang, et al., 2007
Zhu, X.H.; Wang, W.; Schramm, K.-W.; Niu, W.,
Prediction of the Kova´ ts Retention Indices of Thiols by Use of Quantum Chemical and Physicochemical Descriptors,
Chromatographia, 2007, 65, 11-12, 719-724, https://doi.org/10.1365/s10337-007-0237-3
. [all data]
Morishita, Murakita, et al., 1985
Morishita, F.; Murakita, H.; Kojima, T.,
Prediction of retention indices of thiols and sulfides under different conditions of capillary gas chromatography,
Bunseki Kagaku, 1985, 34, 12, 800-802, https://doi.org/10.2116/bunsekikagaku.34.12_800
. [all data]
Morishita, Murakita, et al., 1982
Morishita, F.; Murakita, H.; Takemura, Y.; Kojima, T.,
Prediction of molecular structures of thiols and sulphides by retention indices,
J. Chromatogr., 1982, 239, 483-492, https://doi.org/10.1016/S0021-9673(00)82005-1
. [all data]
Leppin, Gollnick, et al., 1969
Leppin, E.; Gollnick, K.; Schomburg, G.,
Gas chromatographic identification of isomeric mercaptans,
Chromatographia, 1969, 2, 12, 535-540, https://doi.org/10.1007/BF02260096
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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