CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless to pale yellow liquid with an odor of myrtle berries; [Advanced BioTech MSDS] |
|---|---|
| Boiling Point | 228.00 °C. @ 760.00 mm Hg |
| Melting Point | -42.6 °C |
| Solubility | soluble in alcohol, propylene glycol; insoluble in water |
| Density | 0.8700-0.87044(15°) |
| Refractive Index | 1.419-1.430 |
| Kovats Retention Index | 1284 1293 1280.6 1263 1267 1270 1272 1276 1277 1280 1282 1284 1284 1286 1282 1288 1286 |
| Chemical Classes | Solvents -> Esters (<C12) |
COMPUTED DESCRIPTORS
| Molecular Weight | 186.29 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 186.161979940 g/mol |
| Monoisotopic Mass | 186.161979940 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 121 |
| 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
Octyl propanoate is a carboxylic ester.