CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid |
---|---|
Boiling Point | 100.00 to 103.00 °C. @ 16.00 mm Hg |
Melting Point | -35.6 °C |
Solubility | insoluble in water; soluble in alcohol and oil |
Density | 0.976 |
Refractive Index | 1.425-1.435 |
Kovats Retention Index | 1104 |
SAFETY INFORMATION
Signal word | Warning |
---|---|
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 | 158.19 g/mol |
---|---|
XLogP3 | 1.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 6 |
Exact Mass | 158.094294304 g/mol |
Monoisotopic Mass | 158.094294304 g/mol |
Topological Polar Surface Area | 43.4 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 140 |
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
Butyl acetoacetate is an oxo carboxylic acid.