CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless to pale yellow liquid with odour of melon |
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Boiling Point | 35.00 to 40.00 °C. @ 15.00 mm Hg |
Solubility | very slightly |
Density | 0.967-0.973 |
Refractive Index | 1.395-1.405 |
Kovats Retention Index | 863 863 |
SAFETY INFORMATION
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 | 104.17 g/mol |
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XLogP3 | 0.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
Exact Mass | 104.02958605 g/mol |
Monoisotopic Mass | 104.02958605 g/mol |
Topological Polar Surface Area | 42.4 Ų |
Heavy Atom Count | 6 |
Formal Charge | 0 |
Complexity | 51.5 |
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
(Methylthio)acetone is a ketone.