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.