CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Melting Point | -34 - -35 °C |
| Solubility | soluble in alcohol, most fixed oils; slightly soluble in propylene glycol; insoluble in glycerol, water |
| Density | 0.855-0.8562 |
| Refractive Index | 1.425-1.429 |
| Kovats Retention Index | 1468 1469 1471 |
COMPUTED DESCRIPTORS
| Molecular Weight | 214.34 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 11 |
| Exact Mass | 214.193280068 g/mol |
| Monoisotopic Mass | 214.193280068 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 144 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pentyl octanoate is an octanoate ester obtained by the formal condensation of carboxy group of octanoic acid with pentan-1-ol. It has a role as a flavouring agent and a plant metabolite. It is functionally related to a pentan-1-ol.