CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | WAX |
| Boiling Point | 223 °C @ 15 mm Hg |
| Melting Point | 28.9 °C |
| Solubility | Very sol in ether |
| Density | 0.8498 @ 20 °C |
| Vapor Pressure | 0.0000279 [mmHg] |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| Kovats Retention Index | 2328 |
| Chemical Classes | Other Classes -> Stearates |
COMPUTED DESCRIPTORS
| Molecular Weight | 340.6 g/mol |
|---|---|
| XLogP3 | 9.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 19 |
| Exact Mass | 340.334130642 g/mol |
| Monoisotopic Mass | 340.334130642 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 261 |
| 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
Isobutyl stearate is a natural product found in Aristolochia baetica, Aristolochia fontanesii, and Aristolochia paucinervis with data available.