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1629-58-9

1629-58-9 structural image
Product Name: Ethyl vinyl ketone
Formula: C5H8O
Synonyms: 1-Penten-3-one;Ethyl vinyl ketone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid, polymerizes readily with heat or in the presence of alkali; powerful penetrating odour
Boiling Point 38.00 °C. @ 60.00 mm Hg
Solubility insoluble in water; soluble in most organic solvents
Density 0.842-0.848
Refractive Index 1.417-1.422
Kovats Retention Index 657 709 650 657 660 660.2 654 654 662 664 660 658 658

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H225:Flammable liquids
H314:Skin corrosion/irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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 84.12 g/mol
XLogP3 1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 84.057514874 g/mol
Monoisotopic Mass 84.057514874 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 64.3
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-penten-3-one is an enone that is pent-1-ene substituted by an oxo group at position 3. It has a role as a human metabolite, a flavouring agent, a plant metabolite and a genotoxin.