97-87-0
Product Name:
Butyl isobutyrate
Formula:
C8H16O2
Synonyms:
Butyl 2-methylpropanoate;Butyl isobutanoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Boiling Point | 156.00 to 158.00 °C. @ 760.00 mm Hg |
| Melting Point | < 25 °C |
| Solubility | miscible in alcohol, ether, most fixed oils; insoluble in glycerin, propylene glycol, water |
| Density | 0.859-0.864 |
| Refractive Index | 1.401-1.404 |
| Kovats Retention Index | 952 935 936 943 944 937 931 931 931 936 933 952 933 934 931 939 939 945 944 |
| Chemical Classes | Solvents -> Esters (<C12) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 144.21 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| 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 | 97.4 |
| 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
Butylisobutyrate is a carboxylic ester.