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| CAS No.: | 765-43-5 |
|---|---|
| Name: | Cyclopropyl methyl ketone |
| Article Data: | 147 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H8O |
| Molecular Weight: | 84.1179 |
| Synonyms: | Ketone,cyclopropyl methyl (6CI,8CI);1-Cyclopropylethanone;Acetylcyclopropane;Methyl cyclopropyl ketone;NSC 1940;Ethanone,1-cyclopropyl-; |
| EINECS: | 212-146-4 |
| Density: | 0.995 g/cm3 |
| Melting Point: | <-70 °C |
| Boiling Point: | 114.2 °C at 760 mmHg |
| Flash Point: | 21.1 °C |
| Solubility: | Fully miscible in water. |
| Appearance: | clear colorless to very slightly yellow liquid |
| Hazard Symbols: |
 F
|
| Risk Codes: | 11 |
| Safety: | 9-16-29-33 |
| Transport Information: | 9-16-29-33 |
| PSA: | 17.07000 |
| LogP: | 0.98540 |
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| Conditions | Yield |
|---|---|
| With acetic acid; 1,1'-(phenyl-l3-iodanediyl)bis(pyridinium)trifluoromethanesulfonate In 1,2-dichloro-ethane at 60℃; Inert atmosphere; Molecular sieve; chemoselective reaction; | 99% |
| With trifluorormethanesulfonic acid; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In 1,4-dioxane at 20℃; for 0.25h; | 98% |
| With manganese (VII)-oxide In tetrachloromethane; acetone at -70℃; | 92% |
| Conditions | Yield |
|---|---|
| With sodium iodide at 192℃; under 4500.45 Torr; Reagent/catalyst; Temperature; Pressure; | 97.12% |
| Stage #1: 3-acetyl-2-oxo-4,5-dihydrofuran With hydrogenchloride In water at 100℃; for 2h; Stage #2: With sodium hydroxide In water at 80 - 100℃; for 2h; | 90.2% |
| With 1-methyl-pyrrolidin-2-one; sodium iodide at 170℃; for 3h; | 59% |
| Conditions | Yield |
|---|---|
| With sodium iodide; nickel dibromide; zinc In tetrahydrofuran at 0℃; for 96h; | 97% |
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2,5-dichloro-2-pentene
- 765-43-5
Cyclopropyl methyl ketone
| Conditions | Yield |
|---|---|
| With sulfuric acid at 40 - 45℃; for 2h; | 95.2% |
- 89625-16-1
3-diphenylphosphinoyl-5-hydroxypentan-2-one
- 765-43-5
Cyclopropyl methyl ketone
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tert-butyl alcohol at 30℃; for 2h; | 95% |
| With potassium tert-butylate In tert-butyl alcohol for 2h; | 81% |
| Conditions | Yield |
|---|---|
| With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide at 90 - 100℃; for 1.5h; Reagent/catalyst; Temperature; | 88.04% |
| With potassium hydroxide Versetzen mit Wasser und anschliessend Erhitzen; | |
| With sodium hydroxide; water Versetzen mit Wasser und anschliessend Erhitzen; |
| Conditions | Yield |
|---|---|
| With chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I); water In methanol at 110℃; for 6h; | 86% |
| With 3,4,5-trihydroxybenzoic acid; water at 60℃; for 6h; Sealed tube; Green chemistry; | 75% |
| With chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I) In methanol; water at 110℃; for 6h; Schlenk technique; regioselective reaction; | > 99 %Spectr. |
| With chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I); water; silver trifluoromethanesulfonate In methanol at 120℃; for 6h; |
| Conditions | Yield |
|---|---|
| Stage #1: acetoacetic acid methyl ester; ethylene dibromide With sodium hydride at 55℃; for 3h; Inert atmosphere; Stage #2: With hydrogenchloride In water at 60℃; for 2h; pH=8 - 9; | 84% |
| Conditions | Yield |
|---|---|
| With oxygen; copper(l) chloride; palladium dichloride In water; N,N-dimethyl-formamide at 40℃; for 6h; | 80% |
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cyclopropylmethyl ketone 2,4-dinitrophenylhydrazone
A
- 765-43-5
Cyclopropyl methyl ketone
B
- 615-71-4
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| Conditions | Yield |
|---|---|
| With vanadium(II) chloride In tetrahydrofuran for 1h; Heating; | A 74% B n/a |
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Specification
1.Introduction of Cyclopropyl methyl ketone
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 .
2.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
3.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
InChIKey: HVCFCNAITDHQFX-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1CC1
4.Safety information of Cyclopropyl methyl ketone
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.
5. Toxity data of Cyclopropyl methyl ketone
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | skin | > 2gm/kg (2000mg/kg) | National Technical Information Service. Vol. OTS0559687, |