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591-60-6

591-60-6 structural image
Product Name: ACETOACETIC ACID N-BUTYL ESTER
Formula: C8H14O3
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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.