CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colourless liquid; fruity aroma |
|---|---|
| Boiling Point | 167.00 to 174.00 °C. @ 760.00 mm Hg |
| Solubility | Practically insoluble to insoluble in water |
| Density | 0.895-0.905 (20º) |
| Refractive Index | 1.430-1.440 |
| Kovats Retention Index | 1020 1018 1023 1020 1024 1025 1026 1019 1024 |
COMPUTED DESCRIPTORS
| Molecular Weight | 142.20 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 142.099379685 g/mol |
| Monoisotopic Mass | 142.099379685 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 116 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethyl 2-hexenoate is a fatty acid ethyl ester of 2-hexenoic acid. It has a role as a metabolite. It is functionally related to a 2-hexenoic acid.