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28122-28-3

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Basic Information
CAS No.: 28122-28-3
Name: 4-Benzyl-m-xylene
Article Data: 35
Molecular Structure:
Molecular Structure of 28122-28-3 (4-Benzyl-m-xylene)
Formula: C15H16
Molecular Weight: 196.292
Synonyms: Methane,phenyl-2,4-xylyl- (6CI,7CI,8CI);(2,4-Dimethylphenyl)phenylmethane;1-Benzyl-2,4-dimethylbenzene;2,4-Dimethyl-1-(phenylmethyl)benzene;2,4-Dimethyldiphenylmethane;Phenyl-2,4-xylylmethane;
Density: 0.974 g/cm3
Melting Point: 0.95°C (estimate)
Boiling Point: 297.9 °C at 760 mmHg
Flash Point: 136.4 °C
PSA: 0.00000
LogP: 3.89420
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Specification

The Benzene, 2, 4-dimethyl-1-(phenylmethyl)-, with the CAS registry number 28122-28-3, is also known as 4-Benzyl-m-xylene. This chemical's molecular formula is C15H16 and molecular weight is 196.2875. What's more, its IUPAC name is 1-Benzyl-2, 4-dimethylbenzene.

Physical properties about Benzene, 2, 4-dimethyl-1-(phenylmethyl)- are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.13; (4)ACD/LogD (pH 7.4): 5.13; (5)ACD/BCF (pH 5.5): 4641.53; (6)ACD/BCF (pH 7.4): 4641.53; (7)ACD/KOC (pH 5.5): 14661.86; (8)ACD/KOC (pH 7.4): 14661.86; (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: 1.561; (14)Molar Refractivity: 65.21 cm3; (15)Molar Volume: 201.3 cm3; (16)Polarizability: 25.85×10-24 cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 0.974 g/cm3; (19)Flash Point: 136.4 °C; (20)Enthalpy of Vaporization: 51.63 kJ/mol; (21)Boiling Point: 297.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00232 mmHg at 25 °C.

Preparation of Benzene, 2, 4-dimethyl-1-(phenylmethyl)-: this chemical is prepared by reaction of Chloromethyl-benzene with 1, 3-Dimethyl-benzene. The reaction needs reagent Amalgamated aluminium. The reaction temperature is 120 °C.

The Benzene, 2, 4-dimethyl-1-(phenylmethyl)- can be obtained by Chloromethyl-benzene and 1, 3-Dimethyl-benzene.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cccc1)Cc2ccc(cc2C)C
(2) InChI: InChI=1/C15H16/c1-12-8-9-15(13(2)10-12)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
(3) InChIKey: CVAMMFFQVDUIEX-UHFFFAOYAX