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.