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| CAS No.: | 1567-75-5 |
|---|---|
| Name: | Methyl 1-methylcyclopropyl ketone |
| Molecular Structure: | |
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| Formula: | C6H10O |
| Molecular Weight: | 98.1448 |
| Synonyms: | Ketone,methyl 1-methylcyclopropyl (6CI,7CI,8CI);1-(1-Methylcyclopropyl)ethanone;1-Acetyl-1-methylcyclopropane;1-Methylcyclopropyl methyl ketone;NSC 97001; |
| EINECS: | 216-369-8 |
| Density: | 0.954 g/cm3 |
| Boiling Point: | 126.499 °C at 760 mmHg |
| Flash Point: | 23.889 °C |
| Solubility: | Insoluble in water |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-22 |
| Safety: | 16-29-33 |
| Transport Information: | UN 1224 3/PG 3 |
| PSA: | 17.07000 |
| LogP: | 1.37550 |
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Specification
The IUPAC name of this chemical is 1-(1-methylcyclopropyl)ethanone. With the CAS registry number 1567-75-5, it is also named as Ethanone, 1-(1-methylcyclopropyl)-. The product's categories are C3 to C6; Carbonyl Compounds; Ketones. It is clear colorless liquid which is insoluble in water. And it is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.19; (6)ACD/BCF (pH 7.4): 2.19; (7)ACD/KOC (pH 5.5): 60.97; (8)ACD/KOC (pH 7.4): 60.97; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 27.65 cm3; (14)Molar Volume: 102.9 cm3; (15)Polarizability: 10.96×10-24 cm3; (16)Surface Tension: 30.6 dyne/cm; (17)Enthalpy of Vaporization: 36.43 kJ/mol; (18)Vapour Pressure: 11.6 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 2; (21)Exact Mass: 98.073165; (22)MonoIsotopic Mass: 98.073165; (23)Topological Polar Surface Area: 17.1; (24)Heavy Atom Count: 7; (25)Complexity: 101.
Preparation of Methyl 1-methylcyclopropyl ketone: It can be obtained by 5-chloro-3-methyl-pentan-2-one. This reaction needs reagent aq. NaOH by heating. The reaction time is 2 hours. The yield is 58 %.
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Uses of Methyl 1-methylcyclopropyl ketone: It can react with methylmagnesium iodide to get 2-(1-methyl-cyclopropyl)-propan-2-ol. This reaction needs reagent diethyl ether by heating. The reaction time is 2 hours. The yield is 74 %.
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When you are using this chemical, please be cautious about it as the following:
It is flammable, so people keep it away from sources of ignition. And it is harmful if swallowed. Take precautionary measures against static discharges.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(C)C1(C)CC1
2. InChI:InChI=1/C6H10O/c1-5(7)6(2)3-4-6/h3-4H2,1-2H3
3. InChIKey:OQBCJXUAQQMTRW-UHFFFAOYAU