-
Name
(3-methyl-3-phenyloxiran-2-yl)(phenyl)methanone
- EINECS
- CAS No. 7462-67-1
- Article Data11
- CAS DataBase
- Density 1.168 g/cm3
- Solubility
- Melting Point
- Formula C16H14O2
- Boiling Point 372.3 °C at 760 mmHg
- Molecular Weight 238.2812
- Flash Point 166.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Butyrophenone,2,3-epoxy-3-phenyl- (6CI,7CI);Methanone, (3-methyl-3-phenyloxiranyl)phenyl-(9CI);Dypnone oxide;NSC 402148;(3-methyl-3-phenyloxiran-2-yl)(phenyl)methanone;Methanone, (3-methyl-3-phenyloxiranyl)phenyl-, cis-;Methanone, (3-methyl-3-phenyloxiranyl)phenyl-, trans-;Butyrophenone, 2,3-epoxy-3-phenyl-, cis-;Butyrophenone, 2,3-epoxy-3-phenyl-, trans-;
- PSA
- LogP
Methanone,(3-methyl-3-phenyl-2-oxiranyl)phenyl- Specification
The Methanone,(3-methyl-3-phenyl-2-oxiranyl)phenyl-, with the CAS registry number 7462-67-1, has the systematic name of (3-methyl-3-phenyloxiran-2-yl)(phenyl)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 C16H14O2.
The characteristics of Methanone,(3-methyl-3-phenyl-2-oxiranyl)phenyl- are as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 29.6 Å2; (7)Index of Refraction: 1.597; (8)Molar Refractivity: 69.53 cm3; (9)Molar Volume: 203.9 cm3; (10)Polarizability: 27.56×10-24cm3; (11)Surface Tension: 49.7 dyne/cm; (12)Density: 1.168 g/cm3; (13)Flash Point: 166.7 °C; (14)Enthalpy of Vaporization: 61.95 kJ/mol; (15)Boiling Point: 372.3 °C at 760 mmHg; (16)Vapour Pressure: 9.69E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccccc1)C3OC3(c2ccccc2)C
(2)InChI: InChI=1/C16H14O2/c1-16(13-10-6-3-7-11-13)15(18-16)14(17)12-8-4-2-5-9-12/h2-11,15H,1H3
(3)InChIKey: OSYCVSWVZKUPOY-UHFFFAOYAL
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