Ethyl hexanoate

Ethyl hexanoate
Names
Preferred IUPAC name
Ethyl hexanoate
Other names
Ethyl caproate
Caproic acid ethyl ester
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.004.220
UNII
  • InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3 N
    Key: SHZIWNPUGXLXDT-UHFFFAOYSA-N N
  • InChI=1/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
    Key: SHZIWNPUGXLXDT-UHFFFAOYAA
  • CCCCCC(=O)OCC
Properties
C8H16O2
Molar mass 144.214 g·mol−1
Appearance Colorless liquid[1]
Odor Fruity[1]
Density 0.87 g/cm3[1]
Melting point −67 °C (−89 °F; 206 K)[1]
Boiling point 168 °C (334 °F; 441 K)[1]
Hazards
GHS labelling:[2]
Warning
H226
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N (what is YN ?)
Infobox references

Ethyl hexanoate is an organic compound with the formula C2H5O2C(CH2)6CH3. A colorless oily liquid, is the ester resulting from the condensation of hexanoic acid and ethanol. It has fruity aroma similar to apple peel and pineapple (sweet, fruity, pineapple, waxy, green).[3][4] It is a flavor component of baijiu.[5]

References

  1. ^ a b c d e Record in the GESTIS Substance Database of the Institute for Occupational Safety and Health
  2. ^ PubChem. "Ethyl hexanoate". pubchem.ncbi.nlm.nih.gov. Retrieved 2026-05-16.
  3. ^ "ethyl hexanoate". scentsandflavors.com. Retrieved 14 June 2026.
  4. ^ Zheng LY, Sun GM, Liu YG, Lv LL, Yang WX, Zhao WF, Wei CB (2012-06-14). "Aroma volatile compounds from two fresh pineapple varieties in China". International Journal of Molecular Sciences. 13 (6): 7383–92. Bibcode:2012IJMSc..13.7383Z. doi:10.3390/ijms13067383. PMC 3397533. PMID 22837701.
  5. ^ Liu, Huilin; Sun, Baoguo (2018). "Effect of Fermentation Processing on the Flavor of Baijiu". Journal of Agricultural and Food Chemistry. 66 (22): 5425–5432. Bibcode:2018JAFC...66.5425L. doi:10.1021/acs.jafc.8b00692. PMID 29751730.