Ethyl heptanoate

Ethyl heptanoate is the ester resulting from the condensation of heptanoic acid and ethanol. It is used in the flavor industry because of its odor that is similar to grape.[1]

Ethyl heptanoate

Names
Preferred IUPAC name Ethyl heptanoate
Other names Heptanoic acid ethyl ester Ethyl enanthate Ethyl heptylate Enanthic acid ethyl ester
Identifiers
CAS Number	106-30-9^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:86618^N
ChemSpider	7509^N
ECHA InfoCard	100.003.076
PubChem CID	7797
UNII	45R404Y5X8^N
CompTox Dashboard (EPA)	DTXSID1040112
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3^N Key: TVQGDYNRXLTQAP-UHFFFAOYSA-N^N InChI=1/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3 Key: TVQGDYNRXLTQAP-UHFFFAOYAW
SMILES CCCCCCC(OCC)=O
Properties
Chemical formula	C9H18O2
Molar mass	158.241 g·mol^−1
Odor	Grape
Density	0.860 g/cm^3
Melting point	−66 °C (−87 °F; 207 K)
Boiling point	188 to 189 °C (370 to 372 °F; 461 to 462 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is ^YN ?)
Infobox references

References

1. Ethyl heptanoate