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9004-78-8

9004-78-8 structural image
Product Name: Poly(oxy-1,2-ethanediyl), .alpha.-phenyl-.omega.-hydroxy-
Formula: C8H10O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Color/Form Oily liquid
Odor Faint aromatic odor
Taste Burning taste
Boiling Point 245
Melting Point 13
Flash Point 260 °F (127 °C) (Closed cup)
Solubility 24g/L at 20°C
Density 1.1094 at 20 °C/20 °C
Vapor Density 4.8 (Air = 1)
Vapor Pressure 0.007 mm Hg at 25 °C
LogP log Kow = 1.16
Stability/Shelf Life STABLE IN PRESENCE OF ACIDS & ALKALIES.
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Viscosity 20.5 centistokes at 25 °C
Heat of Combustion 958 kcal/mole
Surface Tension 42.0 dynes/cm
Refractive Index Index of refraction: 1.534 at 20 °C/D
Dissociation Constants pKa = 15.10 at 25 °C
Relative Evaporation Rate < 0.01 (Butyl acetate = 1.0)
Kovats Retention Index 1191.6 1186 1210 1214 1213 1204.2 1187.1 1189 1185 1194
Other Experimental Properties % in saturated air: 0.00096 at 25 °C

COMPUTED DESCRIPTORS

Molecular Weight 138.16 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 138.068079557 g/mol
Monoisotopic Mass 138.068079557 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 77.3
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

2-phenoxyethanol is an aromatic ether that is phenol substituted on oxygen by a 2-hydroxyethyl group. It has a role as an antiinfective agent and a central nervous system depressant. It is a primary alcohol, a glycol ether and an aromatic ether. It is functionally related to a phenol.