CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid with a powerful grassy, apple-like odor; [Bedoukian Research MSDS] |
|---|---|
| Boiling Point | 20.00 °C. @ 0.20 mm Hg |
| Solubility | slightly |
| Density | 0.967-0.973 |
| Refractive Index | 1.427-1.436 |
| Kovats Retention Index | 778 775 764 834 829 773 770 770 766 769 765 769 834 779 764 769 |
| Chemical Classes | Other Classes -> Aldehydes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 98.14 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 98.073164938 g/mol |
| Monoisotopic Mass | 98.073164938 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 64.6 |
| 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
Cis-3-hexenal is the cis-isomer of 3-hexenal. It has a role as a flavouring agent and a plant metabolite.