Caffeic acid phenethyl ester

CAS Registry Number®

104594-70-9
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CAS Name

Caffeic acid phenethyl ester

Molecular Formula

C17H16O4

Molecular Mass

284.31

Cite this Page

Caffeic acid phenethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104594-70-9 (retrieved 2024-04-19) (CAS RN: 104594-70-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    153-155 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2

InChIKey

InChIKey=SWUARLUWKZWEBQ-UHFFFAOYSA-N

SMILES

C(=CC(OCCC1=CC=CC=C1)=O)C2=CC(O)=C(O)C=C2

Canonical SMILES

O=C(OCCC=1C=CC=CC1)C=CC2=CC=C(O)C(O)=C2

Other Names for this Substance

  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester
  • β-Phenylethyl caffeate
  • 2-Phenylethyl caffeate
  • Caffeic acid phenethyl ester
  • CAPE

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Deleted or Replaced CAS Registry Numbers

132031-37-9

CAS INSIGHTSTM
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