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Benzene,2-ethenyl-1,3,5-trimethyl-

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Name

Benzene,2-ethenyl-1,3,5-trimethyl-

EINECS 212-205-4
CAS No. 769-25-5 Density 0.89 g/cm3
PSA 0.00000 LogP 3.25480
Solubility N/A Melting Point -37°C
Formula C11H14 Boiling Point 207.2 °C at 760 mmHg
Molecular Weight 146.232 Flash Point 71.8 °C
Transport Information N/A Appearance N/A
Safety 23-36/37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 769-25-5 (2,4,6-TRIMETHYLSTYRENE) Hazard Symbols HarmfulXn
Synonyms

Styrene,2,4,6-trimethyl- (6CI,7CI,8CI);2,4,6-Trimethylstyrene;2-Ethenyl-1,3,5-trimethylbenzene;2-Vinylmesitylene;Mesitylethylene;NSC51012;Vinylmesitylene;

Article Data 43

Benzene,2-ethenyl-1,3,5-trimethyl- Specification

The Benzene, 2-ethenyl-1, 3, 5-trimethyl-, with the CAS registry number 769-25-5, is also known as Mesitylethylene. It belongs to the product categories of Styrenes; Monomers; Polymer Science; Styrene and Functionalized Styrene Monomers. And its EINECS registry number is 212-205-4. This chemical's molecular formula is C11H14 and molecular weight is 146.23. What's more, its IUPAC name is 2-Ethenyl-1, 3, 5-trimethylbenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant.

Physical properties about Benzene, 2-ethenyl-1, 3, 5-trimethyl- are: (1)ACD/LogP: 4.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.08; (4)ACD/LogD (pH 7.4): 4.08; (5)ACD/BCF (pH 5.5): 742.58; (6)ACD/BCF (pH 7.4): 742.58; (7)ACD/KOC (pH 5.5): 3948.94; (8)ACD/KOC (pH 7.4): 3948.94; (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: 1.541; (14)Molar Refractivity: 51.65 cm3; (15)Molar Volume: 164.2 cm3; (16)Polarizability: 20.47×10-24 cm3; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 0.89 g/cm3; (19)Flash Point: 71.8 °C; (20)Enthalpy of Vaporization: 42.53 kJ/mol; (21)Boiling Point: 207.2 °C at 760 mmHg; (22)Vapour Pressure: 0.329 mmHg at 25 °C.

Uses of Benzene, 2-ethenyl-1, 3, 5-trimethyl-: it is used to produce other chemicals. For example, it is used to produce 2-Methoxy-1-(2, 4, 6-trimethyl-phenyl)-ethanone. This reaction needs reagents Cerium(IV) ammonium nitrate and O2. The reaction temperature is 20 °C. The yield is about 55 %.

Benzene, 2-ethenyl-1, 3, 5-trimethyl- can react with Methanol to get 2-Methoxy-1-(2, 4, 6-trimethyl-phenyl)-ethanone.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. In addition, the vapour of this chemical can not be breathed. 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\c1c(cc(cc1C)C)C
(2) InChI: InChI=1/C11H14/c1-5-11-9(3)6-8(2)7-10(11)4/h5-7H,1H2,2-4H3
(3) InChIKey: PDELBHCVXBSVPJ-UHFFFAOYAU

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