3,4-Dimethoxycinnamic acid

• Formula: C₁₁H₁₂O₄
• Molecular weight: 208.2106
• IUPAC Standard InChI: InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+ Copy

  
• IUPAC Standard InChIKey: HJBWJAPEBGSQPR-GQCTYLIASA-N Copy
• CAS Registry Number: 2316-26-9
• 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.
• Species with the same structure:
  • 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (E)-
• Stereoisomers:
  • (Z)-3,4-Dimethoxycinnamic acid
• Other names: Dimethyl caffeic acid; 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-; Caffeic acid dimethyl ether; Cinnamic acid, 3,4-dimethoxy-; 3,4-Dimethoxyphenyl-2-propenoic acid; 3,4-Di-O-methylcaffeic acid; Methylferulic acid; O,O-Dimethylcaffeic acid; o-Methylferulic acid; NSC 4323; NSC 43569; trans-3,4-Dimethoxycinnamic acid; (2E)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid
• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
  • References
  • Notes
• Options:
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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

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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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

UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

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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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.

Monte and Hillesheim, 1999
Monte, Manuel J.S.; Hillesheim, Dorothea M., Vapour pressures, enthalpies and entropies of sublimation of trans -cinnamic acid and of nine methoxy and dimethoxycinnamic acids, The Journal of Chemical Thermodynamics, 1999, 31, 11, 1443-1456, https://doi.org/10.1006/jcht.1999.0540 . [all data]

Santavy, et al., 1972
Santavy, F., et al., Coll. Czech. Chem. Comm., 1972, 37, 1825. [all data]

Tret'yakov, 2008
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Notes

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• Symbols used in this document:
  

  ΔsubH°

  Enthalpy of sublimation at standard conditions

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