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  • Cyclopropyl methyl ketone
Name:Cyclopropyl methyl ketone
CAS No:765-43-5

PRODUCT DESCRIPTION

【Name】
Cyclopropyl methyl ketone
【Iupac name】
1-cyclopropylethanone
【CAS Registry number】
765-43-5
【Synonyms】
Acetylcyclopropane
ACETYLTRIMETHYLENE
AKOS BBS-00004282
1-CYCLOPROPYL-1-ETHANONE
1-CYCLOPROPYL-ETHANONE
CPMK
METHYL CYCLOPROPYL KETONE
1-cyclopropyl-ethanon
Cyclopropylethanone
Ketone, cyclopropyl methyl
ketone,cyclopropylmethyl
【EINECS(EC#)】
212-146-4
【Molecular Formula】
C5H8O (Products with the same molecular formula)
【Molecular Weight】
84.12
【Inchi】
InChI=1/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3
【InChIKey】
HVCFCNAITDHQFX-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)C1CC1
【MOL File】
765-43-5.mol

Chemical and Physical Properties

【Appearance】
clear colorless to very slightly yellow liquid
【Density】
0.903
【Melting Point】
<-70 oC
【Boiling Point】
114℃
【Refractive Index】
1.422-1.426
【Flash Point】
21℃
【Solubilities】
Very soluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29142900
【Storage temp】
Flammables area
【Computed Properties】
Molecular Weight:84.11642 [g/mol]
Molecular Formula:C5H8O
XLogP3:0.5
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Tautomer Count:3
Exact Mass:84.057515
MonoIsotopic Mass:84.057515
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Formal Charge:0
Complexity:72
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
Feature 3D Acceptor Count:1
Effective Rotor Count:1.6
Conformer Sampling RMSD:0.4
CID Conformer Count:6

Safety and Handling

【Hazard Codes】
F:Flammable
【Risk Statements】
R11
【Safety Statements 】
S16
【HazardClass】
3
【Safety】

Hazard Codes:F? 
Risk Statements:11
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
HazardClass:3 
PackingGroup:II 
A dangerous fire hazard when exposed to heat or flame. When heated to decomposition it emits acrid smoke and fumes.

【PackingGroup 】
II
【Transport】
UN 1224 3
【Specification】

? Cyclopropyl methyl ketone (CAS NO.765-43-5), its Synonyms are Ethanone, 1-cyclopropyl- ; Ethanone, 1-cyclopropyl- (9CI) ; Ketone, cyclopropyl methyl (8CI) ; Methyl cyclopropyl ketone ; Acetylcyclopropane .

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