Ethyl hexanoate is a fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol.
Definition
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.
Source: PubChem
US FDA substance register · UNII FLO6YR1SHT · registered name Ethyl caproate · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 123-66-0
- EC No.EU chemical inventory number
- 204-640-3
- DTXSIDUS EPA chemical ID
- DTXSID3021980
- DTXCIDUS EPA compound ID
- DTXCID301980
- IUPAC
- Ethyl hexanoate
- Molecular formula
- C8H16O2
- Molecular weight
- 144.214 g/mol
Measured properties
- Appearance
- CBI, Liquid · Colorless to yellowish liquid with a pleasant odor, [Merck Index] Colorless liquid, [Alfa Aesar MSDS]
- Boiling point
- 166.00 to 168.00 °C. @ 760.00 mm Hg · 166 °C
- Melting point
- -67.5 °C
- Solubility
- 0.629 mg/mL at 25 °C · Soluble in most fixed oils and in propylene glycol, insoluble in water and glycerol
- Density
- 0.867-0.871
- Melting/freezing point
- -67 ℃
- Initial boiling point and range
- 167 ℃
- Vapour pressure
- 1.56 ㎜Hg (@ 25 ℃, est.)
- Water solubility
- 629 ㎎/ℓ (@ 25 ℃)
- Vapour density
- 4.98
- n-Octanol/water partition coefficient (Kow)
- 2.83 (est.)
- Molecular weight
- 144.21
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 131 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Fragrance128
- Flavouring and nutrient2
- Solvent1
Source: US EPA CompTox dashboard
Related literature
- Whole-cell lipase catalytic synthesis of short-chain fragrance esters using Aspergillus flavus · 2023
- The Odorant-Binding Protein 1 Mediates the Foraging Behavior of Grapholita molesta Larvae. · 2023
- The influence of different enzymatic preparations and skin contact time on aromatic profile of wines produced from autochthonous grape varieties Krstac and Zizak · 2022
- Immobilization of an Antarctic Pseudomonas AMS8 Lipase for Low Temperature Ethyl Hexanoate Synthesis · 2018
- Fortification and Elevated Alcohol Concentration Affect the Concentration of Rotundone and Volatiles in Vitis vinifera cv. Shiraz Wine · 2017
Linked databases 15
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem 2
- Tlooto literature search 2 3 4 5
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · English · Japanese · Chinese