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814-78-8

814-78-8 structural image
Product Name: 3-Methyl-3-buten-2-one
Formula: C5H8O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Methyl isopropenyl ketone, stabilized appears as a clear colorless liquid. Flash point of 52 °F. Denser than water and insoluble in water. Hence sinks in water. Vapors heavier than air.
Color/Form CLEAR, COLORLESS LIQUID
Odor PLEASANT
Taste SWEET
Boiling Point 208 °F at 760 mmHg (USCG, 1999)
Melting Point -65 °F (USCG, 1999)
Flash Point less than 73 °F (USCG, 1999)
Solubility SOL IN ALCOHOL
Density 0.85 at 68 °F (USCG, 1999) - Less dense than water; will float
Vapor Density 2.9 (AIR= 1)
Vapor Pressure 42.0 [mmHg]
Polymerization Will polymerize in the absence of inhibitor, especially when heated. /inhibited/
Odor Threshold 0.291 ppm /inhibited/
Refractive Index INDEX OF REFRACTION: 1.4220 AT 20 °C
Kovats Retention Index 693 671 647.2
Other Experimental Properties CHEMICALLY REACTIVE
Chemical Classes Plastics & Rubber -> Other Monomers

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements 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 P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P312:Call a POISON CENTER or doctor/physician if you feel unwell.
P330:Rinse mouth.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 84.12 g/mol
XLogP3 0.9
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 81.9
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

Methyl isopropenyl ketone, stabilized appears as a clear colorless liquid. Flash point of 52 °F. Denser than water and insoluble in water. Hence sinks in water. Vapors heavier than air.