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66576-71-4

66576-71-4 structural image
Product Name: FEMA 3699
Formula: C8H16O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 140.00 to 144.00 °C. @ 727.00 mm Hg
Solubility insoluble in water
Density 0.847-0.855
Refractive Index 1.395-1.399
Kovats Retention Index 960

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P243:Take precautionary measures against static discharge.

COMPUTED DESCRIPTORS

Molecular Weight 144.21 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 144.115029749 g/mol
Monoisotopic Mass 144.115029749 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 108
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Isopropyl 2-methylbutanoate is a fatty acid ester.

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