Propyl butyrate
Propyl butyrate is a butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid. It has a role as an insect attractant, a plant metabolite and a human metabolite. It is functionally related to a propan-1-ol. — ChEBI
- IUPAC name
- propyl butanoate
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18 g/mol
- Exact mass
- 130.099379685 Da
- XLogP3
- 1.8
- 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:89719
- EPA DTXSID:DTXSID6059318
- PubMed:20718067
- PubMed:20069833
- PubMed:16555133
- PubMed:15641996
Evidence from additional scientific databases
EMBL-EBI ChEBI
propyl butyrate
A butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid.
- Formula
- C7H14O2
- Average mass
- 130.187 g/mol
- Monoisotopic mass
- 130.09938 Da
- Formal charge
- 0
- butyrate ester — is a (CHEBI:50477)
- human metabolite — has role (CHEBI:77746)
- plant metabolite — has role (CHEBI:76924)
- insect attractant — has role (CHEBI:24850)
- propan-1-ol — has functional parent (CHEBI:28831)
- human metabolite — has role (CHEBI:77746)
- plant metabolite — has role (CHEBI:76924)
- insect attractant — has role (CHEBI:24850)
- butyrate ester — is a (CHEBI:50477)
- 15641996 Source: PubMed
- 16555133 Source: PubMed
- 19167006 Source: PubMed
- 20069833 Source: PubMed
- 20718067 Source: PubMed
- 24421258 Source: PubMed
- 24930773 Source: PubMed
- 26375029 Source: PubMed
- 26497627 Source: PubMed
- 28686981 Source: PubMed
- IND21987264 Source: Agricola
- IND44345740 Source: Agricola
- IND90040860 Source: Agricola
Additional curated names
Cross-references from this source
- CAS: 105-66-8 — ChemIDplus
- CAS: 105-66-8 — NIST Chemistry WebBook
- REGISTRY_NUMBER: 1745552 — Reaxys
- MANUAL_X_REF: HMDB0039618 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2017-11-03. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 142.00 to 143.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 140-145 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.866 - 0.875 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: -95.2 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Clear colorless liquid; [Aldrich MSDS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: colourless liquid with a pineapple, apricot odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.395-1.405 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1.62 mg/mL at 17 °C Source: Human Metabolome Database (HMDB)
- Solubility: miscible with alcohol, ether; slightly soluble in water Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Vapor Pressure: 5.95 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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 1502 reports by companies from 7 notifications to the ECHA C&L Inventory.; 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 flavoring agent or adjuvant; [ExPub: FDA] Used in solvents for cellulose ethers; [Hawley] 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.