1-Butanethiol, 2-methyl-

• Formula: C₅H₁₂S
• Molecular weight: 104.214
• IUPAC Standard InChI: InChI=1S/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: WGQKBCSACFQGQY-UHFFFAOYSA-N Copy
• CAS Registry Number: 1878-18-8
• 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-Methyl-1-butanethiol; CH3CH2CH(CH3)CH2SH; 2-Methylbutan-1-thiol; 2-methylbutane-1-thiol
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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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

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

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kim, 2001
Kim, J.S., Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [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]

Ishizaki, Tachihara, et al., 2005
Ishizaki, S.; Tachihara, T.; Tamura, H.; Yanai, T.; Kitahara, T., Evaluation of odour-active compounds in roasted shrimp (Sergia lucens Hansen) by aroma extract dilution analysis, Flavour Fragr. J., 2005, 20, 6, 562-566, https://doi.org/10.1002/ffj.1484 . [all data]

Kraft and Switt, 2005
Kraft, P.; Switt, K.A.D. (Eds), Perspectives in Flavor and Fragrance Research, Wiley-VCH, Weinheim, Germany, 2005, 251. [all data]

Tachihara, Ishizaki, et al., 2004
Tachihara, T.; Ishizaki, S.; Ishikawa, M.; Kitahara, T., Studies on the volatile compounds of roasted spotted shrimp, Chemistry Biodiversity, 2004, 1, 12, 2024-2033, https://doi.org/10.1002/cbdv.200490155 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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