CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless to pale yellow liquid/sweet, leafy, floral odour |
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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 |
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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.