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63253-24-7

63253-24-7 structural image
Product Name: Vanillinerythro-andthreo-butan-2,3-diolacetal
Formula: C12H16O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Creamy solid
Boiling Point 324.00 to 326.00 °C. @ 760.00 mm Hg
Melting Point 48.00 to 52.00 °C. @ 760.00 mm Hg
Solubility insoluble in water; soluble in most non-polar solvents
Kovats Retention Index 1750.9

COMPUTED DESCRIPTORS

Molecular Weight 224.25 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 224.10485899 g/mol
Monoisotopic Mass 224.10485899 g/mol
Topological Polar Surface Area 47.9 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 223
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Vanillin 1,2-butylene glycol acetal is a member of phenols and a member of methoxybenzenes.