Ethyl Caffeate
- IUPAC name
- ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21 g/mol
- Exact mass
- 208.07355886 Da
- XLogP3
- 2.6
- 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:132714
- ChEBI:CHEBI:69656
- ChEMBL:CHEMBL17347
- PubMed:24892518
- PubMed:24685503
- PubMed:24582984
- PubMed:18952420
- PubMed:7473544
Evidence from additional scientific databases
EMBL-EBI ChEBI
ethyl trans-caffeate
An ethyl ester resulting from the formal condensation of the carboxy group of trans-caffeic acid with ethanol.
- Formula
- C11H12O4
- Average mass
- 208.213 g/mol
- Monoisotopic mass
- 208.07356 Da
- Formal charge
- 0
- alkyl caffeate ester — is a (CHEBI:65331)
- ethyl ester — is a (CHEBI:23990)
- anti-inflammatory agent — has role (CHEBI:67079)
- antineoplastic agent — has role (CHEBI:35610)
- trans-caffeic acid — has functional parent (CHEBI:16433)
- anti-inflammatory agent — has role (CHEBI:67079)
- antineoplastic agent — has role (CHEBI:35610)
- alkyl caffeate ester — is a (CHEBI:65331)
- ethyl ester — is a (CHEBI:23990)
Additional curated names
Cross-references from this source
- CAS: 102-37-4 — ChemIDplus
- REGISTRY_NUMBER: 2106401 — Reaxys
- MANUAL_X_REF: 5317238 — PubChem Compound
- MANUAL_X_REF: Ethyl_caffeate — Wikipedia
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2016-08-04. 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: H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (80%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 5 reports by companies from 2 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)
- GHS Hazard Statements: H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. 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.