Pentyl hexanoate

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
CAS Number	540-07-8 Y
3D model (JSmol)	Interactive image
ChemSpider	10424
ECHA InfoCard	100.007.940
PubChem CID	10886
UNII	5M61M1AL1H Y
CompTox Dashboard (EPA)	DTXSID0047581
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