CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid; mild, winey-fruity odour with pleasant herbaceous undertone |
|---|---|
| Solubility | soluble in water; miscible in alcohol and oil |
| Density | 1.120-1.128 |
| Refractive Index | 1.436-1.446 |
| Kovats Retention Index | 1244 |
COMPUTED DESCRIPTORS
| Molecular Weight | 190.19 g/mol |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 190.08412354 g/mol |
| Monoisotopic Mass | 190.08412354 g/mol |
| Topological Polar Surface Area | 72.8 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 177 |
| 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
Diethyl malate is a malate ester obtained by the formal condensation of the two carboxy groups of malic acid with two molecules of ethanol respectively. It has a role as a metabolite.