CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless oily liquid with a mild, sweet, fruity-like odour |
|---|---|
| Boiling Point | 261.00 to 262.00 °C. @ 760.00 mm Hg |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Density | 0.984-0.992 |
| LogP | 4.15 |
| Refractive Index | 1.491-1.497 |
| Kovats Retention Index | 1411 1412 1419 1424 1421 1425 1418 1418.2 1414 1419 1428 1417 1425 1434 1409 1436 1421 1415 1402 1416.3 1413 1425 1414 |
COMPUTED DESCRIPTORS
| Molecular Weight | 192.25 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 192.115029749 g/mol |
| Monoisotopic Mass | 192.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 169 |
| 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
3-Methylbutyl benzoate is a benzoate ester.