Cyclopropyl methyl ketone is a kind of colorless transparent liquids, its Synonyms are Ethanone, 1-cyclopropyl-; Ketone, cyclopropyl methyl (8CI) ;Methyl cyclopropyl ketone; Ethanone, 1-cyclopropyl- (9CI) ; Acetylcyclopropane . The CAS NO. is 765-43-5.
The Properties of Cyclopropyl methyl ketone
（1）Molecular Weight 84.11642 [g/mol]
（2）Molecular Formula C5H8O
（3）XLogP3 0.5
（4）H-Bond Acceptor 1
（5）Rotatable Bond Count 1
（6）Tautomer Count 3
（7）Exact Mass 84.057515
（8）MonoIsotopic Mass 84.057515
（9）Topological Polar Surface Area 17.1
（10）Heavy Atom Count 6
（11）Complexity 72
（12）Covalently-Bonded Unit Count 1
（13）Feature 3D Acceptor Count 1
（14）Effective Rotor Count 1.6
（15）Conformer Sampling RMSD 0.4
（16）CID Conformer Count 6
The Structure descriptors of Cyclopropyl methyl ketone
IUPAC Name: 1-cyclopropylethanone
InChI: InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3
InChI Key: HVCFCNAITDHQFX-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1CC1
The preparation of Cyclopropyl methyl ketone
Methyl cyclopropyl ketone has been prepared from ethyl acetoacetate and ethylene bromide, and by the action of methylmagnesium bromide on cyclopropyl cyanide.The procedure described for its preparation from 5-chloro-2-pentanone is similar to that of Zelinsky and Dengin and has been employed by Smith and Rogier.Methyl cyclopropyl ketone also has been obtained by heating trimethyl-γ-acetopropylammonium bromide or 5-bromo-2-pentanone with potassium hydroxide.
5-Chloro-2-pentanone has been prepared by a number of methods, including treatment of acetopropyl alcohol with gaseous hydrogen chloride. The procedure given is essentially that of Boon and of Forman. A similar procedure has been used for the preparation of the corresponding bromo-and iodoketones.
Safety information of Cyclopropyl methyl ketone
Hazard Codes:F, Flammable
Risk Statements:11, Highly Flammable
Safety Statements:9-16-29-33
9:Keep container in a well-ventilated place
16:Keep away from sources of ignition-No smoking
29:Do not empty into drains
33:Take precautionary measures against static discharges
RIDADR:UN 1224 3/PG 2
WGK Germany:3
RTECS:KM5648000
Hazard Class:3
Packing Group:II A dangerous fire hazard when exposed to heat or flame. When heated to decomposition it emits acrid smoke and fumes.
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