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999-40-6

999-40-6 structural image
Product Name: FEMA 2774
Formula: C14H24O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless to pale yellow liquid/sweet, leafy, floral odour
Boiling Point 239.00 to 240.00 °C. @ 760.00 mm Hg
Solubility soluble in alcohol; insoluble in water
Density 0.898-0.910
Refractive Index 1.4539-1.4650
Kovats Retention Index 1519 1498 1519 1514

COMPUTED DESCRIPTORS

Molecular Weight 224.34 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 8
Exact Mass 224.177630004 g/mol
Monoisotopic Mass 224.177630004 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 258
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Neryl butyrate is a carboxylic ester.