2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester

• Formula: C₁₀H₁₀O₃
• Molecular weight: 178.1846
• IUPAC Standard InChI: InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+ Copy

  
• IUPAC Standard InChIKey: NITWSHWHQAQBAW-QPJJXVBHSA-N Copy
• CAS Registry Number: 3943-97-3
• 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.
• Other names: Cinnamic acid, p-hydroxy-, methyl ester; p-Hydroxycinnamic acid methyl ester; Methyl p-coumarate; Methyl p-hydroxycinnamate; Methyl 4-hydroxycinnamate; 4-Hydroxycinnamic acid methyl ester; p-Coumaric acid methyl ester; Methyl 4-coumarate; Methyl ester of p-hydroxycinnamic acid; NSC 154578; Methyl (2E)-3-(4-hydroxyphenyl)-2-propenoate
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
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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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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, temperature ramp

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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.

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [all data]

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

Byun and Shin, 2008
Byun, Y.; Shin, S., Analysis of compounds and activity of essential oil from Chrysanthemum zawadskii var. latilobum and C. indicum agaunst antibiotic-resistant pathogenic bacteria, Nat. Prod. Sci., 2008, 14, 2, 138-142. [all data]

Notes

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