Pentyl hexanoate

Pentyl hexanoate
Pentyl hexanoate
Pentyl hexanoate
Names
Preferred IUPAC name
Pentyl hexanoate
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.007.940
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
    Key: WRFZKAGPPQGDDQ-UHFFFAOYSA-N
  • InChI=1/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
    Key: WRFZKAGPPQGDDQ-UHFFFAOYAW
SMILES
  • CCCCCC(=O)OCCCCC
Properties
Chemical formula
 C11H22O2
Molar mass 186.295 g·mol−1
Density 0.858 g/mL
Boiling point 226 °C (439 °F; 499 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Pentyl hexanoate (C5H11COOC5H11) is an ester found in apple[1] and pineapple fruits. It is closely related to pentyl butyrate and pentyl pentanoate, both of which are also present in fruits.

References

  1. ^ "Volatiles in Gravenstein Apple Essence Identified by GC-Mass Spectrometry". Chromsci.oxfordjournals.org. 1968-10-28. Retrieved 2013-04-09.{{cite web}}: CS1 maint: deprecated archival service (link)
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