CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear liquid with a pungent odor; mp = 16 deg C; [MSDSonline] |
|---|---|
| Solubility | Insoluble in water; soluble in PG, in most fixed oils |
| Density | 0.850-0.856 (21°) |
| Refractive Index | 1.440-1.447 (21°) |
| Kovats Retention Index | 724.3 724.3 724 721.4 727 730 723 730 743 744 728 743 718 724 723 723 723 723 725 |
| Chemical Classes | Other Classes -> Aldehydes |
COMPUTED DESCRIPTORS
| Molecular Weight | 84.12 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| 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 | 55 |
| 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
(E)-2-pentenal is a 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk. It has a role as a plant metabolite.