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84642-61-5

84642-61-5 structural image
Product Name: FEMA 3332
Formula: C8H14O3
Synonyms: acetoin butyrate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description white to slightly yellow liquid with a sweet, red berry characteristic odour
Solubility soluble in alcohol, propylene glycol and most fixed oils; insoluble in water
Density 0.972-0.992
Refractive Index 1.408-1.429
Kovats Retention Index 1038.3 1036 1038 1038 1044

COMPUTED DESCRIPTORS

Molecular Weight 158.19 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
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 151
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-Methyl-2-oxopropyl butyrate is a fatty acid ester.