CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pale yellow to amber liquid with a nutty odor; [Acros Organics MSDS] |
|---|---|
| Boiling Point | 66.00 °C. @ 12.00 mm Hg |
| Solubility | slightly |
| Vapor Pressure | 1.0 [mmHg] |
| Kovats Retention Index | 839 840 821 838 836 826 826.2 867.8 |
| Chemical Classes | Other Classes -> Other Organic Compounds |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids |
| 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. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 116.11 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.047344113 g/mol |
| Monoisotopic Mass | 116.047344113 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 106 |
| 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
Acetoxyacetone is a carboxylic ester and a ketone.