Propyl hexanoate

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Propyl hexanoate
Names
Preferred IUPAC name
Propyl hexanoate
Other names
Propyl caproate
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.009.967 Edit this at Wikidata
EC Number
  • 210-963-0
UNII
  • InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
    Key: HTUIWRWYYVBCFT-UHFFFAOYSA-N
  • InChI=1/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
    Key: HTUIWRWYYVBCFT-UHFFFAOYAY
  • CCCCCC(=O)OCCC
Properties
C9H18O2
Molar mass 158.241 g·mol−1
Appearance Clear, colorless liquid
Melting point −68 °C (−90 °F; 205 K)
Boiling point 186 °C (367 °F; 459 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Propyl hexanoate (C9H18O2), also known as propyl caproate, is an ester formed by the reaction of propanol with hexanoic acid. Although it is a completely different ester, propyl hexanoate shares the same chemical formula with methyl octanoate, ethyl heptanoate, butyl pentanoate, etc. because they all have the same total carbon chain length. The scent of this ester can be described as that of blackberries, pineapple, cheese or wine.[1]

Due to the length of the carbon chain in this molecule, there are only minor van der Waals forces acting upon it, which is why propyl hexanoate appears as a liquid and not a solid. Dipole-dipole forces are present because of the polar covalent bonds between carbon and oxygen, while hydrogen bonding only occurs with other molecules that can hydrogen bond.

Preparation

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References

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