CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | sweet, sulfurous, fruity flavor like arrowhead |
|---|---|
| Boiling Point | 105.00 to 107.00 °C. @ 55.00 mm Hg |
| Solubility | insoluble in water |
| Density | 1.000-1.007 |
| Refractive Index | 1.470-1.481 |
| Kovats Retention Index | 962 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
| Molecular Weight | 118.20 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 118.04523611 g/mol |
| Monoisotopic Mass | 118.04523611 g/mol |
| Topological Polar Surface Area | 42.4 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 61.1 |
| 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-(Methylthio)-2-butanone is a ketone.