589-59-3
Product Name:
Isobutyl isovalerate
Formula:
C9H18O2
Synonyms:
2-Methylpropyl 3-methylbutyrate;Isobutyl 3-methyl butyrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to pale yellow liquid |
|---|---|
| Boiling Point | 168.50 °C. @ 760.00 mm Hg |
| Solubility | miscible with alcohol |
| Density | 0.850-0.854 |
| Refractive Index | 1.404-1.408 |
| Kovats Retention Index | 989 990 985 985 989 994 989 993 985 990 992 989 985 988 989 991 991 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation |
| 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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 158.24 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 158.130679813 g/mol |
| Monoisotopic Mass | 158.130679813 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 117 |
| 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
2-Methylpropyl 3-methylbutanoate is a fatty acid ester.