CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid; Pungent aroma with fruity undertones |
|---|---|
| Solubility | Soluble in pentane and diethyl ether; slightly soluble in water |
| Density | 0.968-0.972 |
| Refractive Index | 1.453-1.469 |
COMPUTED DESCRIPTORS
| Molecular Weight | 190.31 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 190.10275099 g/mol |
| Monoisotopic Mass | 190.10275099 g/mol |
| Topological Polar Surface Area | 51.6 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 135 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(+/-)-Isobutyl 3-methylthiobutyrate is a fatty acid ester.