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7493-72-3

7493-72-3 structural image
Product Name: Allyl Nonanoate
Formula: C12H22O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Allyl nonanoate is a clear very slightly yellow liquid with a fruity odor. (NTP, 1992)
Boiling Point 189 to 196 °F at 3 mmHg (NTP, 1992)
Flash Point 84 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 0.841 at 68 °F (NTP, 1992) - Less dense than water; will float
Refractive Index 1.430-1.436
Kovats Retention Index 1365 1355

COMPUTED DESCRIPTORS

Molecular Weight 198.30 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 10
Exact Mass 198.161979940 g/mol
Monoisotopic Mass 198.161979940 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 152
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Allyl nonanoate is a clear very slightly yellow liquid with a fruity odor. (NTP, 1992)