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Isopropenyl Acetate

CAT: 0572-TRC-I822780-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-I822780-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108-22-5
Synonyms
1-Propen-2-ol, 2-acetate; 1-Propen-2-ol, acetate (6CI,8CI,9CI); 1-Acetoxy-1-methylethylene; 1-Methylvinyl acetate; 2-Acetoxy-1-propene; 2-Acetoxypropene; 2-Acetoxypropylene; Acetic acid isopropenyl ester; Isopropenyl acetate; NSC 2197; NSC 8262; Prop-1-en-2-yl acetate; Acetic acid-isopropenyl ester
Hazard Statement
Highly flammable liquid and vapour; UN number: UN2403; Packing Group: II
Smiles
CC(=C)OC(=O)C
Molecular Formula
C5 H8 O2
Molecular Weight
100.1158
InChI
InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
Additionnal Information
IUPAC name: prop-1-en-2-yl acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Isopropenyl acetate

Isopropenyl acetate is an ester.

CAS Number108-22-5
PubChem CID7916
IUPAC Nameprop-1-en-2-yl acetate
Molecular FormulaC5H8O2
Molecular Weight100.12
XLogP1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity94
SMILES
CC(=C)OC(=O)C
InChI
InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InChIKey
HETCEOQFVDFGSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropenyl acetate
CAS: 108-22-5
CID: 7916
Formula: C5H8O2
MW: 100.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.12
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass100.052429494
Monoisotopic Mass100.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity94.3
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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