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326-12-5

326-12-5 structural image
Product Name: DIMETHYL (E)-1-METHYL-2-(1-PHENYLETHOXYCARBONYL) VINYL PHOSPHATE
Formula: C14H19O6P
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pale straw-colored liquid; [Merck Index]
Color/Form LIGHT STRAW-COLORED LIQ
Odor Mild ester
Boiling Point 135 °C @ 0.03 MM HG
Solubility 0.1%; SLIGHTLY SOL IN KEROSENE, SATURATED HYDROCARBONS; SOL IN ACETONE, CHLOROFORM, ETHANOL, HIGHLY CHLORINATED HYDROCARBONS
Density 1.19 @ 25 °C
Vapor Pressure 0.000014 [mmHg]
Stability/Shelf Life IN AQ SOLN AT 38 °C, 50% IS HYDROLYZED IN 87 HR AT PH 1, 35 HR AT PH 9. ...WILL NOT ATTACK FIBERGLASS, REINFORCED POLYESTER, RIGID PVC, OR THE USUAL LACQUERS USED FOR LINING DRUMS.
Corrosivity Slightly corrosive to copper, lead, mild steel, tin and zinc, but will not attack fiberglass, reinforced polyester, rigid PVC, or the usual lacquers used for lining drums. Incompatible with most mineral carriers, except synthetic silicas such as 'Colloidal Silica K320' and 'Hisil 233'.
Refractive Index INDEX OF REFRACTION: 1.4988 @ 25 °C/D
Kovats Retention Index 2032 2032 2049.4 2061.9 2031.9 2056.4 2056.8
Other Experimental Properties In aqueous solution at 38 °C, 50% is hydrolyzed in 87 hr at pH 1 and 35 hr at pH 9.
Chemical Classes Pesticides -> Organophosphate Insecticides

COMPUTED DESCRIPTORS

Molecular Weight 314.27 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 314.09192532 g/mol
Monoisotopic Mass 314.09192532 g/mol
Topological Polar Surface Area 71.1 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 406
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Crotoxyphos is a carboxylic ester. It is functionally related to a benzyl alcohol.