CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 228.00 to 230.00 °C. @ 760.00 mm Hg |
| Melting Point | < 25 °C |
| Solubility | 10 mg/L @ 20 °C (exp) |
| Density | 0.882-0.888 |
| Refractive Index | 1.446-1.451 |
| Kovats Retention Index | 1379 1362 1361.7 1356 1366 |
COMPUTED DESCRIPTORS
| Molecular Weight | 224.34 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 224.177630004 g/mol |
| Monoisotopic Mass | 224.177630004 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 273 |
| 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
Linalyl isobutyrate is a monoterpenoid.