CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid/pungent, fruity odour |
|---|---|
| Boiling Point | 215.00 °C. @ 760.00 mm Hg |
| Solubility | soluble in alcohol, most fixed oils; insoluble in water |
| Density | 0.853-0.857 |
| Refractive Index | 1.417-1.421 |
| Kovats Retention Index | 1222 1220 1204 1204 1204 1224 1224 1227 1227 1226 1225 1225 1228 1228 1228 1229 1224 1240 |
COMPUTED DESCRIPTORS
| Molecular Weight | 186.29 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 186.161979940 g/mol |
| Monoisotopic Mass | 186.161979940 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 130 |
| 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
Hexyl 3-methylbutanoate is a fatty acid ester.