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Name |
Benzene,1-methyl-4-(phenylmethyl)- |
EINECS | 248-654-8 |
CAS No. | 620-83-7 | Density | 0.984 g/cm3 |
PSA | 0.00000 | LogP | 3.58580 |
Solubility | N/A | Melting Point |
4.61°C |
Formula | C14H14 | Boiling Point | 286 °C at 760 mmHg |
Molecular Weight | 182.265 | Flash Point | 120.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methane,phenyl-p-tolyl- (6CI,7CI,8CI);(4-Methylphenyl)phenylmethane;1-Benzyl-4-methylbenzene;1-Methyl-4-(phenylmethyl)benzene;4-Benzyltoluene;4-Methyldiphenylmethane;NSC 75367;Phenyl(p-methylphenyl)methane;Phenyl-p-tolylmethane;p-Benzyltoluene;p-Methylbenzylbenzene;p-Methyldiphenylmethane;p-Tolylphenylmethane; |
Article Data | 299 |
The Benzene, 1-methyl-4-(phenylmethyl)-, with the CAS registry number 620-83-7, is also known as 4-Benzyltoluene. This chemical's molecular formula is C14H14 and molecular weight is 182.26. What's more, its IUPAC name is 1-Benzyl-4-methylbenzene. During using it, you should avoid contacting with skin and eyes.
Physical properties about Benzene, 1-methyl-4-(phenylmethyl)- are: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.67; (4)ACD/LogD (pH 7.4): 4.67; (5)ACD/BCF (pH 5.5): 2074.93; (6)ACD/BCF (pH 7.4): 2074.93; (7)ACD/KOC (pH 5.5): 8239.62; (8)ACD/KOC (pH 7.4): 8239.62; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 60.39 cm3; (15)Molar Volume: 185.1 cm3; (16)Polarizability: 23.94×10-24 cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 0.984 g/cm3; (19)Flash Point: 120.6 °C; (20)Enthalpy of Vaporization: 50.4 kJ/mol; (21)Boiling Point: 286 °C at 760 mmHg; (22)Vapour Pressure: 0.00467 mmHg at 25 °C.
Preparation of Benzene, 1-methyl-4-(phenylmethyl)-: this chemical is prepared by 4-Methyl-benzophenone. This reaction needs reagents AlCl3 and LiAlH4. Meanwhile, it needs solvent Diethyl ether. The reaction time is 15 minutes. The yield is about 94 %.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cccc1)Cc2ccc(cc2)C
(2) InChI: InChI=1/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
(3) InChIKey: SIYISNUJKMAQBV-UHFFFAOYAZ