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.

Pentyl hexanoate
Pentyl hexanoate
Names
Preferred IUPAC name
Pentyl hexanoate
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.007.940 Edit this at Wikidata
UNII
  • 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
  • CCCCCC(=O)OCCCCC
Properties
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).

References

edit
  1. ^ "Volatiles in Gravenstein Apple Essence Identified by GC-Mass Spectrometry". Chromsci.oxfordjournals.org. 1968-10-28. Archived from the original on 2013-04-15. Retrieved 2013-04-09.