CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 91.00 to 93.00 °C. @ 760.00 mm Hg |
| Melting Point | -84.7 °C |
| Solubility | 1 ml in 1 ml 95% alcohol (in ethanol) |
| Density | 0.884-0.888 |
| Refractive Index | 1.382-1.386 |
| Kovats Retention Index | 671 665 665 669 669 673 665 673 671 665.7 673 670 667 676 679 |
COMPUTED DESCRIPTORS
| Molecular Weight | 102.13 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 102.068079557 g/mol |
| Monoisotopic Mass | 102.068079557 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 66.5 |
| 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
Methyl isobutyrate is the fatty acid methyl ester of isobutyric acid. It has a role as a metabolite. It is functionally related to an isobutyric acid.