CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear, colourless liquid; Fruit aroma |
|---|---|
| Boiling Point | 69.00 °C. @ 6.00 mm Hg |
| Solubility | slightly |
| Density | 1.003-1.007 |
| Refractive Index | 1.455-1.456 |
| Kovats Retention Index | 1080 1082 |
COMPUTED DESCRIPTORS
| Molecular Weight | 162.25 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 162.07145086 g/mol |
| Monoisotopic Mass | 162.07145086 g/mol |
| Topological Polar Surface Area | 27.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 121 |
| 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
3-Mercapto-3-methyl-1-butyl acetate is a carboxylic ester.