CAS Registry Number®
104594-70-9
CAS Name
Caffeic acid phenethyl ester
Molecular Formula
C17H16O4
Molecular Mass
284.31
Compound Properties
-
Melting Point (1)
153-155 °C
Source(s)
- (1) Jaikang, Churdsak; Medicinal Chemistry, (2011), 7(2), 99-105, CAplus
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
- 2-Phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Deleted or Replaced CAS Registry Numbers
132031-37-9
