CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear light yellow liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Boiling Point | 90.00 to 91.00 °C. @ 50.00 mm Hg |
| Solubility | slightly |
| Density | 0.857-0.863 |
| Refractive Index | 1.428-1.434 |
| Kovats Retention Index | 942 926 927 931 930 930 937 923 931 932 930 927 929 941 941 934 934 931 929 931 934 924 927 927 927 927 927 927 931 932 927 928 929 |
| Chemical Classes | Other Classes -> Aldehydes |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.17 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 112.088815002 g/mol |
| Monoisotopic Mass | 112.088815002 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 74.5 |
| 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)-hept-2-enal is a monounsaturated fatty aldehyde that is (2E)-hept-2-ene which is carrying an oxo group at position 1. Found in the peel of Malaysian pink and white pomelo peel and in the scent gland secretion of the rice stink bug Oebalus pugnax. It has a role as a plant metabolite and a uremic toxin. It is an enal, a monounsaturated fatty aldehyde and a medium-chain fatty aldehyde.