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1333-08-0

1333-08-0 structural image
Product Name: Benzocaine impurity D
Formula: C9H11NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Ethyl anthranilate is a colorless liquid with a fruity odor. Insoluble in water. (NTP, 1992)
Color/Form Colorless liquid
Odor Fruity odor
Taste FAINT ORANGE-FLOWERS TASTE
Boiling Point 514 °F at 760 mmHg (NTP, 1992)
Melting Point 55 °F (NTP, 1992)
Solubility Insoluble (NTP, 1992)
Density 1.117 at 68 °F (NTP, 1992) - Denser than water; will sink
Vapor Pressure 0.00232 [mmHg]
LogP log Kow = 2.57
Decomposition When heated to decomp, emits toxic fumes of /nitrogen oxides/.
Refractive Index INDEX OF REFRACTION: 1.5646 @ 20 °C/D; MAX ABSORPTION (ALCOHOL): 225 NM( LOG E= 4.3); 250 NM (LOG E= 3.85); 338 NM (LOG E= 3.7)
Dissociation Constants pKa = 2.18 (conjugate acid)
Kovats Retention Index 1387 1389.8 1396 1396
Other Experimental Properties DECOMP ABOVE 442 °F
Chemical Classes Nitrogen Compounds -> Aminobenzoic Acids

COMPUTED DESCRIPTORS

Molecular Weight 165.19 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 165.078978594 g/mol
Monoisotopic Mass 165.078978594 g/mol
Topological Polar Surface Area 52.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 159
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

Ethyl anthranilate is a colorless liquid with a fruity odor. Insoluble in water. (NTP, 1992)