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7775-39-5

7775-39-5 structural image
Product Name: FEMA 2687
Formula: C12H16O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless oily liquid with a sweet, floral-green odour
Solubility insoluble in water; soluble in organic solvents, oils
Density 0.977-0.983
Refractive Index 1.480-1.486

COMPUTED DESCRIPTORS

Molecular Weight 192.25 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 192.115029749 g/mol
Monoisotopic Mass 192.115029749 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 181
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-Phenylethyl isobutyrate is a carboxylic ester. It is functionally related to a benzyl alcohol.