Hexyl Octanoate
Hexyl octanoate is an octanoate ester obtained by the formal condensation of octanoic acid with hexan-1-ol. It has a role as a plant metabolite. It is functionally related to a hexan-1-ol. — ChEBI
- IUPAC name
- hexyl octanoate
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37 g/mol
- Exact mass
- 228.208930132 Da
- XLogP3
- 5.3
- 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:87490
- ChEMBL:CHEMBL3182596
- EPA DTXSID:DTXSID8047636
- PubMed:20503297
- PubMed:19623973
- PubMed:19559902
- PubMed:12137490
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 277 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.857-0.864(d20/4) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: -31 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: colorless liquid with a fresh vegetable, fruity odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.428-1.433 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: soluble in alcohol; insoluble 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)
- Note: This chemical does not meet GHS hazard criteria for 100% (283 of 283) of all reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: Not Classified; Reported as not meeting GHS hazard criteria by 283 of 283 companies. 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 283 reports by companies from 1 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 283 of 283 reports by companies.; There are 0 notifications provided by 0 of 283 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 |
|---|---|---|
| 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.