Benzenepropanal
3-phenylpropionaldehyde has been reported in Cinnamomum sieboldii, Syzygium jambos, and Cinnamomum verum with data available. — LOTUS - the natural products occurrence database
- IUPAC name
- 3-phenylpropanal
- Molecular formula
- C9H10O
- Molecular weight
- 134.17 g/mol
- Exact mass
- 134.073164938 Da
- XLogP3
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:39940
- ChEMBL:CHEMBL440161
- EPA DTXSID:DTXSID0047610
- PubMed:22545169
- PubMed:21731678
- PubMed:21485375
- PubMed:21394803
- PubMed:21264392
- PubMed:21249192
- PubMed:20945877
- PubMed:20820786
- PubMed:20662513
- PubMed:20405933
- PubMed:20162008
- PubMed:20121251
Evidence from additional scientific databases
EMBL-EBI ChEBI
3-phenylpropanal
A benzene which is substituted by a 3-oxopropyl group at position 1.
- Formula
- C9H10O
- Average mass
- 134.178 g/mol
- Monoisotopic mass
- 134.07316 Da
- Formal charge
- 0
- aldehyde — is a (CHEBI:17478)
- benzenes — is a (CHEBI:22712)
- flavouring agent — has role (CHEBI:35617)
- plant metabolite — has role (CHEBI:76924)
- benzene — has functional parent (CHEBI:16716)
- flavouring agent — has role (CHEBI:35617)
- plant metabolite — has role (CHEBI:76924)
- aldehyde — is a (CHEBI:17478)
- benzenes — is a (CHEBI:22712)
Additional curated names
Cross-references from this source
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2020-04-15. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 97.00 to 98.00 °C. @ 12.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 222 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 1.008-1.018 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: 47 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Colorless or light yellow liquid; [Acros Organics MSDS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Solid Source: Human Metabolome Database (HMDB)
- Physical Description: Colourless to slightly yellow liquid, strong pungent floral odour of hyacinth Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.518-1.528 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: insoluble in water; soluble in oils Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: miscible (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- 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] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1717 reports by companies from 6 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)
- Sources/Uses: Used as a flavoring agent; [FDA] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
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.