CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid/apple-pineapple odour |
|---|---|
| Boiling Point | 249.00 to 251.00 °C. @ 760.00 mm Hg |
| Solubility | soluble in alcohol; insoluble in water |
| Density | 0.86 (20°/20°) |
| Refractive Index | 1.418-1.420 |
| Kovats Retention Index | 1420 1420 1420 1425 |
COMPUTED DESCRIPTORS
| Molecular Weight | 214.34 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| 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 | 153 |
| 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
Octyl 3-methyl-butanoate is a carboxylic ester.