Ethyl heptanoate

Ethyl heptanoate
Ethyl heptanoate
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
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.003.076
PubChem CID
UNII
CompTox Dashboard (EPA)
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/cm3
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).
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Infobox references

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]

References