CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless oily liquid; powerfull grassy-green pungent odour |
---|---|
Boiling Point | 63.00 °C. @ 13.00 mm Hg |
Solubility | slightly |
Density | 0.841-0.847 |
Refractive Index | 1.439-1.448 |
Kovats Retention Index | 940 905.2 904 909 909 909 911 |
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. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
Molecular Weight | 112.17 g/mol |
---|---|
XLogP3 | 1.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 3 |
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 | 92.6 |
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-Hepten-2-one is an enone.