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2-Methyl-2-propen-1-ol

CAT: 0572-TRC-M328190-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M328190-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
513-42-8
Synonyms
2-Methallyl Alcohol; 2-Methyl-2-propenol; 2-Methyl-3-hydroxy-1-propene; 2-Methylallyl Alcohol; 2-Methylprop-1-en-3-ol; 3-Hydroxy-2-methylpropene; Isopropenyl Carbinol; Methacryl Alcohol; Methallyl Alcohol; NSC 30674; NSC 404204; β-Methallyl Alcohol; β-Methylallyl Alcohol
Hazard Statement
Flammable liquid and vapour; UN number: UN2614; Packing Group: III
Smiles
C=C(CO)C
Molecular Formula
C4H8O
Molecular Weight
72.11
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methallyl alcohol

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.

CAS Number513-42-8
PubChem CID10557
IUPAC Name2-methylprop-2-en-1-ol
Molecular FormulaC4H8O
Molecular Weight72.11
XLogP0.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity38
SMILES
CC(=C)CO
InChI
InChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3
InChIKey
BYDRTKVGBRTTIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methallyl alcohol
CAS: 513-42-8
CID: 10557
Formula: C4H8O
MW: 72.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight72.11
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass72.057514874
Monoisotopic Mass72.057514874
Topological Polar Surface Area20.2 Ų
Heavy Atom Count5
Formal Charge0
Complexity38.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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