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547-63-7

547-63-7 structural image
Product Name: Methyl isobutyrate
Formula: C5H10O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 91.00 to 93.00 °C. @ 760.00 mm Hg
Melting Point -84.7 °C
Solubility 1 ml in 1 ml 95% alcohol (in ethanol)
Density 0.884-0.888
Refractive Index 1.382-1.386
Kovats Retention Index 671 665 665 669 669 673 665 673 671 665.7 673 670 667 676 679

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H225: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 102.13 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 102.068079557 g/mol
Monoisotopic Mass 102.068079557 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 66.5
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

Methyl isobutyrate is the fatty acid methyl ester of isobutyric acid. It has a role as a metabolite. It is functionally related to an isobutyric acid.