Ethyl octanoate
Ethyl octanoate is a fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and an octanoate ester. — ChEBI
- IUPAC name
- ethyl octanoate
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26 g/mol
- Exact mass
- 172.146329876 Da
- XLogP3
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:87426
- ChEMBL:CHEMBL4633100
- EPA DTXSID:DTXSID8051542
- PubMed:24272108
- PubMed:23122509
- PubMed:22980827
- PubMed:22741541
- PubMed:22715693
- PubMed:22692849
- PubMed:22666168
- PubMed:22590191
- PubMed:22575782
- PubMed:22520499
- PubMed:22438014
- PubMed:22429085
Evidence from additional scientific databases
EMBL-EBI ChEBI
ethyl octanoate
A fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol.
- Formula
- C10H20O2
- Average mass
- 172.268 g/mol
- Monoisotopic mass
- 172.14633 Da
- Formal charge
- 0
- fatty acid ethyl ester — is a (CHEBI:78206)
- octanoate ester — is a (CHEBI:87657)
- metabolite — has role (CHEBI:25212)
- metabolite — has role (CHEBI:25212)
- fatty acid ethyl ester — is a (CHEBI:78206)
- octanoate ester — is a (CHEBI:87657)
Additional curated names
Cross-references from this source
- CAS: 106-32-1 — ChemIDplus
- CAS: 106-32-1 — NIST Chemistry WebBook
- REGISTRY_NUMBER: 1754470 — Reaxys
- MANUAL_X_REF: C00035613 — KNApSAcK
- MANUAL_X_REF: C12292 — KEGG COMPOUND
- MANUAL_X_REF: HMDB0040195 — HMDB
- MANUAL_X_REF: LMFA07010447 — LIPID MAPS
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2015-08-28. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 206.00 to 208.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 209 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.865-0.868 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: -43.1 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: Colourless liquid with a wine, brandy, fruity floral odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.417-1.419 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 0.0701 mg/mL at 25 °C Source: Human Metabolome Database (HMDB)
- Solubility: Soluble in most fixed oils, slightly soluble in propylene glycol, insoluble in water and glycerol Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1ml in 4ml 70% ethanol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Note: This chemical does not meet GHS hazard criteria for 91.9% (1639 of 1784) of all reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: Not Classified; Reported as not meeting GHS hazard criteria by 1639 of 1784 companies (only 8.1% 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 1784 reports by companies from 3 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 1639 of 1784 reports by companies.; There are 2 notifications provided by 145 of 1784 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.