2497-21-4
Product Name:
4-HEXEN-3-ONE
Formula:
C6H10O
Synonyms:
4-Hexen-3-one, predominantly trans
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless to yellow liquid; pugent, acrid, metallic odour |
|---|---|
| Solubility | slightly soluble in water; soluble in oil |
| Density | 0.855-0.861 |
| Refractive Index | 1.437-1.443 |
| Kovats Retention Index | 811.3 811.5 804.7 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 98.14 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| 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 | 82.2 |
| 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
4-hexen-3-one is an enone that is hex-2-ene in which the two methylene hydrogens at position 4 have been replaced by an oxo group. It has a role as a flavouring agent, a plant metabolite and a human metabolite.