CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Gas or Vapor; Liquid; Other Solid |
|---|---|
| Flash Point | 130 °C |
| Vapor Pressure | 0.0028 [mmHg] |
| Odor Threshold | Odor Threshold = 1.0 mg/l (detection) |
| Kovats Retention Index | 1493 |
| Chemical Classes | Other Classes -> Phenols |
COMPUTED DESCRIPTORS
| Molecular Weight | 166.22 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 166.099379685 g/mol |
| Monoisotopic Mass | 166.099379685 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 148 |
| 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
4-tert-Butylcatechol is a natural product found in Mangifera indica with data available.