CAS 123-66-0PubChem CID 31265
Ethyl hexanoate
Ethyl hexanoate is a fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and a hexanoate ester. — ChEBI
- IUPAC name
- ethyl hexanoate
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21 g/mol
- Exact mass
- 144.115029749 Da
- XLogP3
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Ethyl caproateHexanoic acid, ethyl esterHexanoic Acid Ethyl EsterEthyl hexoateEthyl hexanoate (caproate)FEMA No. 2439FLO6YR1SHTNSC-8882
16 more reported names
CHEBI:86055RefChem:138945204-640-3Capronic ether absoluteEthyl n-hexanoateAcetic acid, butyl-, ethyl esterethyl capronaten-Caproic acid ethyl esterNSC 8882Ethyl ester of hexanoic acidWE(2:0/6:0)CCRIS 6555Caproic acid ethylesterUNII-FLO6YR1SHTEINECS 204-640-3Ethyl hexanoate (caproate) (natural)
External database identifiers
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match31265
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 166.00 to 168.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 166 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.867-0.871 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: -67.5 °C Source: Human Metabolome Database (HMDB)
- Physical Description: CBI; Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colorless to yellowish liquid with a pleasant odor; [Merck Index] Colorless liquid; [Alfa Aesar 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 wine-like odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.406-1.409 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 0.629 mg/mL at 25 °C Source: Human Metabolome Database (HMDB)
- Solubility: Soluble in most fixed oils and in propylene glycol, insoluble in water and glycerol Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1ml in 2ml 70% ethanol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Vapor Pressure: 1.56 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- 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 1742 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: NITE-CMC
- GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids]; H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]; H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Consumer Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
- Sources/Uses: Used to make artificial fruit flavors; [Merck Index] Used as a flavoring agent; [FDA] Used to flavor animal feeds; [ExPub: EFSA - FEEDAP] Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Industrial Processes with risk of exposure: Farming (Feed Additives) [Category: Industry] 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 |
|---|---|---|
| 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.