CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 277.00 to 278.00 °C. @ 760.00 mm Hg |
| Solubility | 0.145 mg/mL at 25 °C |
| Density | 1.046-1.055 |
| LogP | 4.370 |
| Refractive Index | 1.504-1.509 |
| Kovats Retention Index | 1505.7 1506.7 1535 1538 1515 1515.4 1528 1506 1509 |
COMPUTED DESCRIPTORS
| Molecular Weight | 208.25 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 208.109944368 g/mol |
| Monoisotopic Mass | 208.109944368 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 201 |
| 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
Isoamyl salicylate is a benzoate ester and a member of phenols. It is functionally related to a salicylic acid.