Caffeic acid

• Formula: C₉H₈O₄
• Molecular weight: 180.1574
• IUPAC Standard InChI: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ Copy

  
• IUPAC Standard InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N Copy
• CAS Registry Number: 331-39-5
• 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: 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; Cinnamic acid, 3,4-dihydroxy-; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; 3,4-Dihydroxybenzeneacrylic acid; 3,4-Dihydroxycinnamic acid; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; NSC 57197; 3,4-Dihydroxycinnamic acid (caffeic 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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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

Normal alkane RI, non-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.

Chen, Oja, et al., 2006
Chen, Xu; Oja, Vahur; Chan, W. Geoffrey; Hajaligol, Mohammad R., Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method, J. Chem. Eng. Data, 2006, 51, 2, 386-391, https://doi.org/10.1021/je050293h . [all data]

Variyar, Ahmad, et al., 2003
Variyar, P.S.; Ahmad, R.; Bhat, R.; Niyas, Z.; Sharma, A., Flavoring components of raw monsooned Arabica coffee and their changes during radiation processing, J. Agric. Food Chem., 2003, 51, 27, 7945-7950, https://doi.org/10.1021/jf030408q . [all data]

Notes

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• Symbols used in this document:
  

  ΔsubH

  Enthalpy of sublimation

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