CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [Alfa Aesar MSDS] |
|---|---|
| Solubility | insoluble in water |
| Density | 0.838-0.843 |
| Refractive Index | 1.437-1.441 |
| Kovats Retention Index | 875 912 858.7 871 |
| Chemical Classes | Other Classes -> Aliphatic Ketones, Other |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H226:Flammable liquids H311:Acute toxicity,dermal |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.17 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 112.088815002 g/mol |
| Monoisotopic Mass | 112.088815002 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 101 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5-Methyl-3-hexen-2-one is a natural product found in Cryptomeria japonica with data available.