2-Mercaptopropanoic acid

• Formula: C₃H₆O₂S
• Molecular weight: 106.144
• IUPAC Standard InChI: InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5) Copy

  
• IUPAC Standard InChIKey: PMNLUUOXGOOLSP-UHFFFAOYSA-N Copy
• CAS Registry Number: 79-42-5
• 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: Thiolactic acid; 2-Mercaptopropionic acid; Propanoic acid, 2-mercapto-; Propionic acid, 2-mercapto-; α-Mercaptopropanoic acid; α-Mercaptopropionic acid; 2-Thiolactic acid; UN 2936; 2-Sulfanylpropanoic acid
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Phase change data

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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Reduced pressure boiling point

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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

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, custom temperature program

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Van Den Dool and Kratz 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.

Huffman and Ellis, 1935
Huffman, H.M.; Ellis, E.L., Thermal data: III the heat capacities, entropies and free energies of four organic compounds containing sulfur, J. Am. Chem. Soc., 1935, 57, 46-8. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Hofmann and Schieberle, 1997
Hofmann, T.; Schieberle, P., Identification of potent aroma compounds in thermally treated mixtures of glucose/cysteine and rhamnose/cysteine using aroma extract dilution techniques, J. Agric. Food Chem., 1997, 45, 3, 898-906, https://doi.org/10.1021/jf960456t . [all data]

Hofmann and Schieberle, 1995
Hofmann, T.; Schieberle, P., Evaluation of the key odorants in a thermally treated solution of ribose and cysteine by aroma extract dilution techniques, J. Agric. Food Chem., 1995, 43, 8, 2187-2194, https://doi.org/10.1021/jf00056a042 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Ttriple	Triple point temperature

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