Caffeic Acid Phenethyl Ester
- IUPAC name
- 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31 g/mol
- Exact mass
- 284.10485899 Da
- XLogP3
- 4.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen-bond donors
- 2
- Hydrogen-bond acceptors
- 4
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:8062
- ChEBI:CHEBI:93478
- ChEMBL:CHEMBL319244
- EPA DTXSID:DTXSID80861176
- PubMed:24358168
- PubMed:18952420
- PubMed:16029149
- PubMed:15185725
- PubMed:11425564
- PubMed:9083480
- PubMed:8460151
- PubMed:7520698
- PubMed:7473544
Evidence from additional scientific databases
EMBL-EBI ChEBI
phenethyl caffeate
An alkyl caffeate ester in which 2-phenylethyl is the alkyl component.
- Formula
- C17H16O4
- Average mass
- 284.311 g/mol
- Monoisotopic mass
- 284.10486 Da
- Formal charge
- 0
- alkyl caffeate ester — is a (CHEBI:65331)
- immunomodulator — has role (CHEBI:50846)
- antineoplastic agent — has role (CHEBI:35610)
- metabolite — has role (CHEBI:25212)
- antioxidant — has role (CHEBI:22586)
- neuroprotective agent — has role (CHEBI:63726)
- antiviral agent — has role (CHEBI:22587)
- antibacterial agent — has role (CHEBI:33282)
- anti-inflammatory agent — has role (CHEBI:67079)
- immunomodulator — has role (CHEBI:50846)
- antineoplastic agent — has role (CHEBI:35610)
- metabolite — has role (CHEBI:25212)
- antioxidant — has role (CHEBI:22586)
- neuroprotective agent — has role (CHEBI:63726)
- antiviral agent — has role (CHEBI:22587)
- antibacterial agent — has role (CHEBI:33282)
- anti-inflammatory agent — has role (CHEBI:67079)
- alkyl caffeate ester — is a (CHEBI:65331)
- 22206942 Source: PubMed
- 22610380 Source: PubMed
- 22646141 Source: PubMed
- 22964505 Source: PubMed
- 22996076 Source: PubMed
- 23231684 Source: PubMed
- 23291456 Source: PubMed
- 23313590 Source: PubMed
- 23462369 Source: PubMed
- 23466879 Source: PubMed
- 23511289 Source: PubMed
- 23548785 Source: PubMed
- 23561222 Source: PubMed
- 23571777 Source: PubMed
- 23589406 Source: PubMed
- 23611786 Source: PubMed
- 23615471 Source: PubMed
- 23659443 Source: PubMed
- 23662124 Source: PubMed
- 23727925 Source: PubMed
- 23847089 Source: PubMed
- 23876066 Source: PubMed
- 23927014 Source: PubMed
Additional curated names
Cross-references from this source
- CAS: 104594-70-9 — KEGG COMPOUND
- CAS: 115610-29-2 — ChemIDplus
- REGISTRY_NUMBER: 4752508 — Reaxys
- MANUAL_X_REF: C00002766 — KNApSAcK
- MANUAL_X_REF: C10484 — KEGG COMPOUND
- MANUAL_X_REF: Caffeic_acid_phenethyl_ester — Wikipedia
- MANUAL_X_REF: QAP — PDBeChem
- MANUAL_X_REF: US2008167277 — Patent
- MANUAL_X_REF: WO2008006070 — Patent
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2014-07-28. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (98.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 70 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.