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| CAS No.: | 7143-76-2 |
|---|---|
| Name: | cyclopropyl p-tolyl ketone |
| Molecular Structure: | |
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| Formula: | C11H12O |
| Molecular Weight: | 160.216 |
| Synonyms: | Ketone,cyclopropyl p-tolyl (6CI,7CI,8CI);Cyclopropyl 4-methylphenyl ketone;Cyclopropyl p-tolyl ketone;Cyclopropyl(4-methylphenyl)methanone;NSC 72445;p-Toluoylcyclopropane;cyclopropyl(4-methylphenyl)methanone;methanone, cyclopropyl(4-methylphenyl)-; |
| EINECS: | 230-445-8 |
| Density: | 1.093 g/cm3 |
| Boiling Point: | 261 °C at 760 mmHg |
| Flash Point: | 106.2 °C |
| PSA: | 17.07000 |
| LogP: | 2.58770 |
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- Total:17 Page 1 of 1 1
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Specification
The Methanone,cyclopropyl(4-methylphenyl)-, with the CAS registry number 7143-76-2 and EINECS registry number 230-445-8, has the systematic name and IUPAC name of cyclopropyl-(4-methylphenyl)methanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H12O.
The characteristics of Methanone,cyclopropyl(4-methylphenyl)- are as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 46.1; (6)ACD/BCF (pH 7.4): 46.1; (7)ACD/KOC (pH 5.5): 540.15; (8)ACD/KOC (pH 7.4): 540.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 48.3 cm3; (15)Molar Volume: 146.5 cm3; (16)Polarizability: 19.14×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.093 g/cm3; (19)Flash Point: 106.2 °C; (20)Enthalpy of Vaporization: 49.87 kJ/mol; (21)Boiling Point: 261 °C at 760 mmHg; (22)Vapour Pressure: 0.0119 mmHg at 25°C.
Uses of Methanone,cyclopropyl(4-methylphenyl)-: It can react be used to produce 2,2,4-tribromo-1-p-tolyl-butan-1-one. This reaction will need reagent Br2, and the menstruum CHCl3. And the yield is about 51%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(cc1)C)C2CC2
(2)InChI: InChI=1/C11H12O/c1-8-2-4-9(5-3-8)11(12)10-6-7-10/h2-5,10H,6-7H2,1H3
(3)InChIKey: TUZLFHYUOUBZOK-UHFFFAOYAA