CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid with a pleasant odor; [Alfa Aesar MSDS] |
|---|---|
| Boiling Point | 100.00 °C. @ 18.00 mm Hg |
| Solubility | insoluble in water ; soluble in oil |
| Density | 0.834-0.839 |
| Refractive Index | 1.445-1.449 |
| Kovats Retention Index | 1015 1014 1013 1013 1019 1020 1026 1014 1013 1023 1016 1011 1016 1015 1018 |
| Chemical Classes | Other Classes -> Aliphatic Ketones, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P370+P378:In case of fire: Use … for extinction. |
COMPUTED DESCRIPTORS
| Molecular Weight | 126.20 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 126.104465066 g/mol |
| Monoisotopic Mass | 126.104465066 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 103 |
| 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
3-Octen-2-one is an olefinic compound. It is functionally related to an acrylic acid.