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625-33-2

625-33-2 structural image
Product Name: 3-PENTEN-2-ONE
Formula: C5H8O
Synonyms: Methyl propenyl ketone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [Alfa Aesar MSDS]
Boiling Point 122.5 °C
Solubility slightly soluble in water; soluble in oil
Density 0.860-0.865
Vapor Pressure 39.1 [mmHg]
LogP 0.52
Refractive Index 1.433-1.437
Kovats Retention Index 714 712
Chemical Classes Other Classes -> Aliphatic Ketones, Other

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H225:Flammable liquids
H311:Acute toxicity,dermal
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.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
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 0.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
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 72
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

(3E)-pent-3-en-2-one is a methyl propenyl ketone in which the double bond has (E)-configuration. It is a key odorant responsible for the chestnut-like aroma in green tea. It has a role as a flavouring agent and a plant metabolite. It is a methyl propenyl ketone and a volatile organic compound.

RELATED SUPPLIERS

Neugen Labs

1Y
product:625-33-2 Pent-3-en-2-one 98%
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