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Pentyl hexanoate

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Pentyl hexanoate
Pentyl hexanoate
Names
Preferred IUPAC name Pentyl hexanoate
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.007.940 Edit this at Wikidata
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3Key: WRFZKAGPPQGDDQ-UHFFFAOYSA-N
  • InChI=1/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3Key: WRFZKAGPPQGDDQ-UHFFFAOYAW
SMILES
  • CCCCCC(=O)OCCCCC
Properties
Chemical formula C11H22O2
Molar mass 186.295 g·mol
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 , 100 kPa). Infobox references
Chemical compound

Pentyl hexanoate (C5H11COOC5H11) is an ester found in apple 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. Archived from the original on 2013-04-15. Retrieved 2013-04-09.
Esters
Methyl esters
Ethyl esters
Propyl esters
Butyl esters
Amyl esters
Hexyl esters
Phenyl esters
Heptyl esters
Benzyl esters
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