2,4-DIMETHYLSTYRENE

The Benzene,1-ethenyl-2,4-dimethyl-, with the CAS registry number of 2234-20-0, is also known as 2,4-Dimethyl-styren. It belongs to the product categories of Styrenes; Monomers; Polymer Science; Styrene and Functionalized Styrene Monomers. Its EINECS registry number is 218-781-3. This chemical's molecular formula is C₁₀H₁₂ and molecular weight is 132.2. What's more, its IUPAC name is 1-Ethenyl-2,4-dimethylbenzene. In addition, it must be stored in airtight containers. Meanwhile, it should be avoided contact with light.

Physical properties about the Benzene,1-ethenyl-2,4-dimethyl- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 331.96; (6)ACD/BCF (pH 7.4): 331.96; (7)ACD/KOC (pH 5.5): 2219.21; (8)ACD/KOC (pH 7.4): 2219.21; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 46.82 cm³; (15)Molar Volume: 147.9 cm³; (16)Surface Tension: 30.4 dyne/cm; (17)Density: 0.893 g/cm³; (18)Flash Point: 60 °C; (19)Enthalpy of Vaporization: 41.52 kJ/mol; (20)Boiling Point: 196.7 °C at 760 mmHg; (21)Vapour Pressure: 0.554 mmHg at 25 °C.

Preparation: this chemical is prepared by 2,4-Dimethyl-1-[(E)-2-trimethylsilylethenyl]benzene. The reaction needs reagent CF₃CO₂H and solvent Diethyl ether. The reaction temperature is -78 - 20 °C. The yield is about 86 %.



Uses: it is used to produce other chemicals. For example, it is used to produce (R)-1-(2,4-Dimethylphenyl)-1,2-ethanediol. This reaction needs reagents K₃Fe(CN)₆ and K₂CO₃. Meanwhile, it needs solvent 2-Methyl-propan-2-ol and H₂O. The reaction time is 12 h with reaction temperature of 0 °C. The yield is about 85 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: C=C\c1ccc(cc1C)C
(2) InChI: InChI=1/C10H12/c1-4-10-6-5-8(2)7-9(10)3/h4-7H,1H2,2-3H3
(3) InChIKey: OEVVKKAVYQFQNV-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	oral	5gm/kg (5000mg/kg)		"Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 58, 1960.