3-Mercaptopropionic acid

• Formula: C₃H₆O₂S
• Molecular weight: 106.144
• IUPAC Standard InChI: InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5) Copy

  
• IUPAC Standard InChIKey: DKIDEFUBRARXTE-UHFFFAOYSA-N Copy
• CAS Registry Number: 107-96-0
• 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: 3-Mercaptopropanoic acid; β-Mercaptopropionic acid; Propanoic acid, 3-mercapto-; β-Thiopropionic acid; Hydracrylic acid, 3-thio-; Mercaptopropionic acid; Propionic acid, 3-mercapto-; 3-Thiopropionic acid; 3MPA; 3-Thiopropanoic acid; 2-Mercaptoethanecarboxylic acid; NSC 437; β-Mercaptopropanoic acid; 3-Thiolpropanoic acid
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• Information on this page:
  • Gas phase ion energetics data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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Gas phase ion energetics 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 by: John E. Bartmess

De-protonation reactions

C₃H₅O₂S^- +  =

By formula: C₃H₅O₂S^- + H⁺ = C₃H₆O₂S

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.

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [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:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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