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4861-85-2

4861-85-2 structural image
Product Name: ISOPROPYL PHENYLACETATE
Formula: C11H14O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Isopropyl phenylacetate is a clear pale yellow liquid. (NTP, 1992)
Boiling Point 486 to 489 °F at 760 mmHg (NTP, 1992)
Flash Point 203 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68.9 °F (NTP, 1992)
Density 1.3 at 70.7 °F (NTP, 1992) - Denser than water; will sink
Refractive Index 1.483-1.491
Kovats Retention Index 1266

COMPUTED DESCRIPTORS

Molecular Weight 178.23 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 178.099379685 g/mol
Monoisotopic Mass 178.099379685 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 158
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

Isopropyl phenylacetate is a clear pale yellow liquid. (NTP, 1992)