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2655-19-8

2655-19-8 structural image
Product Name: (3,5-ditert-butylphenyl) N-methylcarbamate
Formula: C16H25NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White solid; [HSDB]
Color/Form WHITE CRYSTALLINE SOLID
Melting Point 97-99 °C
Solubility Sol in most org solvents; sparingly in petroleum ether
Vapor Pressure 0.0000888 [mmHg]
LogP log Kow = 4.99 /Estimated/
Henry's Law Constant Henry's Law constant = 4.6X10-8 atm-cu m/mol at 25 °C /Estimated/
Stability/Shelf Life Stable to light, heat and hydrolysis under normal conditions
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Other Experimental Properties Hydroxyl radical reaction rate constant: 15X10-12 cu cm/molec-sec at 25 °C /Estimated/
Chemical Classes Pesticides -> Carbamate Insecticides

COMPUTED DESCRIPTORS

Molecular Weight 263.37 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 263.188529040 g/mol
Monoisotopic Mass 263.188529040 g/mol
Topological Polar Surface Area 38.3 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 290
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

Butacarb is an alkylbenzene.