CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid; Fruity, ripe apple-pear aroma |
|---|---|
| Boiling Point | 91.00 °C. @ 20.00 mm Hg |
| Solubility | Soluble in fats; Insoluble in water |
| Density | 0.885-0.895 |
| Refractive Index | 1.426-1.433 |
| Kovats Retention Index | 1088.7 1070 1085 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 156.22 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 156.115029749 g/mol |
| Monoisotopic Mass | 156.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 128 |
| 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
(2E)-hex-2-en-1-yl propanoate is the propanoate ester of (2E)-hex-2-en-1-ol. It has a role as a metabolite.