CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [Alfa Aesar MSDS] |
|---|---|
| Boiling Point | 122.5 °C |
| Solubility | slightly soluble in water; soluble in oil |
| Density | 0.860-0.865 |
| Vapor Pressure | 39.1 [mmHg] |
| LogP | 0.52 |
| Refractive Index | 1.433-1.437 |
| Kovats Retention Index | 714 712 |
| Chemical Classes | Other Classes -> Aliphatic Ketones, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 84.12 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 84.057514874 g/mol |
| Monoisotopic Mass | 84.057514874 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 72 |
| 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
(3E)-pent-3-en-2-one is a methyl propenyl ketone in which the double bond has (E)-configuration. It is a key odorant responsible for the chestnut-like aroma in green tea. It has a role as a flavouring agent and a plant metabolite. It is a methyl propenyl ketone and a volatile organic compound.