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7779-65-9

7779-65-9 structural image
Product Name: Isoamyl cinnamate
Formula: C14H18O2
Synonyms: Isoamyl 3-phenyl propenoate;Isopentyl cinnamate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Isoamyl cinnamate is a pale yellow liquid with iridescent sheen. (NTP, 1992)
Flash Point greater than 212 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 1.003 at 65.5 °F (NTP, 1992) - Denser than water; will sink
Refractive Index 1.533-1.541
Kovats Retention Index 1717.6 1719

COMPUTED DESCRIPTORS

Molecular Weight 218.29 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 218.130679813 g/mol
Monoisotopic Mass 218.130679813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 225
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

Isoamyl cinnamate is a pale yellow liquid with iridescent sheen. (NTP, 1992)