Methyl 3-phenylpropionate
Methyl 3-phenylpropanoate is a methyl ester resulting from the formal condensation of the carboxy group of 3-phenylpropionic acid with methanol. It has a role as a volatile oil component, a flavouring agent and a human metabolite. It is a member of benzenes and a methyl ester. It is functionally related to a 3-phenylpropionic acid. — ChEBI
- IUPAC name
- methyl 3-phenylpropanoate
- Molecular formula
- C10H12O2
- Molecular weight
- 164.20 g/mol
- Exact mass
- 164.083729621 Da
- XLogP3
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:89875
- ChEMBL:CHEMBL2252087
- EPA DTXSID:DTXSID2059271
- PubMed:18955317
- PubMed:18026591
- PubMed:17941696
- PubMed:16572997
- PubMed:11743787
Evidence from additional scientific databases
EMBL-EBI ChEBI
methyl 3-phenylpropanoate
A methyl ester resulting from the formal condensation of the carboxy group of 3-phenylpropionic acid with methanol.
- Formula
- C10H12O2
- Average mass
- 164.204 g/mol
- Monoisotopic mass
- 164.08373 Da
- Formal charge
- 0
- methyl ester — is a (CHEBI:25248)
- benzenes — is a (CHEBI:22712)
- volatile oil component — has role (CHEBI:27311)
- flavouring agent — has role (CHEBI:35617)
- human metabolite — has role (CHEBI:77746)
- 3-phenylpropionic acid — has functional parent (CHEBI:28631)
- volatile oil component — has role (CHEBI:27311)
- flavouring agent — has role (CHEBI:35617)
- human metabolite — has role (CHEBI:77746)
- methyl ester — is a (CHEBI:25248)
- benzenes — is a (CHEBI:22712)
Additional curated names
Cross-references from this source
- CAS: 103-25-3 — NIST Chemistry WebBook
- CAS: 103-25-3 — ChemIDplus
- REGISTRY_NUMBER: 1909591 — Reaxys
- MANUAL_X_REF: FDB001368 — FooDB
- MANUAL_X_REF: HMDB0030060 — HMDB
- MANUAL_X_REF: LMFA07010951 — LIPID MAPS
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2022-11-28. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 91.00 to 92.00 °C. @ 4.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 238-239 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 1.037-1.045 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- LogP: 2.32 Source: Human Metabolome Database (HMDB)
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: Colourless liquid, powerful, fruity-winey floral sweet odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.499-1.505 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: insoluble in water Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: miscible (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Note: This chemical does not meet GHS hazard criteria for 99.6% (235 of 236) of all reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: Not Classified; Reported as not meeting GHS hazard criteria by 235 of 236 companies (only 0.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 236 reports by companies from 2 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 235 of 236 reports by companies.; There is 1 notification provided by 1 of 236 reports by companies with hazard statement code(s).; 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.