CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid with a fresh, caramel-rum odour with fruity-floral undertone |
|---|---|
| Boiling Point | 185.00 °C. @ 760.00 mm Hg |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Density | 0.972-0.980 |
| Refractive Index | 1.417-1.424 |
| Kovats Retention Index | 1910 |
COMPUTED DESCRIPTORS
| Molecular Weight | 158.19 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 158.094294304 g/mol |
| Monoisotopic Mass | 158.094294304 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 149 |
| 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
3-Methylbutyl 2-oxopropanoate is an oxo carboxylic acid.