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3249-68-1

3249-68-1 structural image
Product Name: Ethyl butyrylacetate
Formula: C8H14O3
Synonyms: Ethyl butyrylacetate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless liquid with fruity, slightly fatty odour
Boiling Point 104.00 °C. @ 22.00 mm Hg
Solubility slightly
Density 0.983-1.000 (20°)
Refractive Index 1.424-1.436

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H227:Flammable liquids
H301:Acute toxicity,oral
Precautionary Statement Codes P405:Store locked up.
P403+P235:Store in a well-ventilated place. Keep cool.

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

Ethyl 3-oxohexanoate is a fatty acid ethyl ester. It is functionally related to a 3-oxohexanoic acid.