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513-42-8

513-42-8 structural image
Product Name: Methallyl alcohol
Formula: C4H8O
Synonyms: β-Methallyl alcohol;‘Isobutenol’
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Methallyl alcohol appears as a colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.
Boiling Point 239 °F at 760 mmHg (USCG, 1999)
Flash Point 92 °F (USCG, 1999)
Density 0.8515 at 68 °F (USCG, 1999) - Less dense than water; will float
Kovats Retention Index 633 605 607
Chemical Classes Other Classes -> Alcohols and Polyols, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
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 72.11 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 72.057514874 g/mol
Monoisotopic Mass 72.057514874 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 38.9
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

Methallyl alcohol appears as a colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.