CAS 105-68-0PubChem CID 7772
Isoamyl propionate
Isoamyl propanoate is a propanoate ester of isoamylol. It has a role as a metabolite. It is functionally related to an isoamylol. — ChEBI
- IUPAC name
- 3-methylbutyl propanoate
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21 g/mol
- Exact mass
- 144.115029749 Da
- XLogP3
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
ISOAMYL PROPANOATEIsopentyl propanoateIsopentyl propionate3-Methylbutyl propionateIsopentyl alcohol, propionate1-Butanol, 3-methyl-, propanoateiso-Pentyl propionatePropionic acid, isopentyl ester
16 more reported names
3-Methyl-1-butyl propanoate1-Butanol, 3-methyl-, 1-propanoateFEMA No. 2082NSC 7932iso-Amyl n-propionateNSC-79322A8739M82ZWE(4:0(3Me)/3:0)Isoamyl propionate (natural)Propionic Acid Isoamyl EsterEINECS 203-322-1BRN 1747359propionic acid isopentyl esterAI3-33594UNII-2A8739M82Z1-Butanol, propanoate
External database identifiers
- ChEBI:CHEBI:87419
- EPA DTXSID:DTXSID5047613
- PubMed:22228946
- PubMed:19575152
- PubMed:15691743
- PubMed:14574107
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:87419
isoamyl propanoate
A propanoate ester of isoamylol.
- Formula
- C8H16O2
- Average mass
- 144.214 g/mol
- Monoisotopic mass
- 144.11503 Da
- Formal charge
- 0
- propanoate ester — is a (CHEBI:36243)
- metabolite — has role (CHEBI:25212)
- isoamylol — has functional parent (CHEBI:15837)
- metabolite — has role (CHEBI:25212)
- propanoate ester — is a (CHEBI:36243)
Additional curated names
3-methylbutyl propanoate3-methylbutyl propionateisopentyl propanoateisopentyl propionate
Cross-references from this source
- CAS: 105-68-0 — ChemIDplus
- CAS: 105-68-0 — NIST Chemistry WebBook
- REGISTRY_NUMBER: 1747359 — Reaxys
- MANUAL_X_REF: HMDB0034164 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2015-10-23. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match7772
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 159.00 to 161.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 160 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.866-0.871 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Colourless liquid with a fruity, apricot, pineapple-like odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.405-1.409 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Soluble in ethanol and most fixed oils, insoluble in glycerol, propylene glycol and water Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1ml in 3ml 70% ethanol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Signal: Warning Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- 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: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (> 99.9%): 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 1663 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)
- Signal: Warning Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids] Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- 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: Hazardous Chemical Information System (HCIS), Safe Work Australia
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.