CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid with a distinct green-leafy odor; [Bedoukian Research MSDS] |
|---|---|
| Solubility | Slightly soluble in water; Soluble in most fixed oils |
| Density | 0.835-0.845 |
| Vapor Pressure | 0.59 [mmHg] |
| Refractive Index | 1.449-1.455 |
| Kovats Retention Index | 1034 1034 1031 1032 1039 1030 1035 1035 1030 1047 1030 1041 1039 1040 1040 1040 1037 1033 1033 1045 1032 1043 1042 1030 1033 1031 1035 1039 1031 1035 1031 1033 1043 |
| Chemical Classes | Other Classes -> Aldehydes |
COMPUTED DESCRIPTORS
| Molecular Weight | 126.20 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 126.104465066 g/mol |
| Monoisotopic Mass | 126.104465066 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 84.6 |
| 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)-oct-2-enal is the (E)-isomer of oct-2-enal. It has a role as an antifungal agent and a volatile oil component.