4-tert-Butoxystyrene

The 4-tert-Butoxystyrene with CAS registry number of 95418-58-9 is also known as Benzene,1-(1,1-dimethylethoxy)-4-ethenyl-. The systematic name is tert-Butyl 4-ethenylphenyl ether. It belongs to product categories of Aromatic compound; Monomers; Polymer Science; Styrene and Functionalized Styrene Monomers. In addition, the formula is C₁₂H₁₆O and the molecular weight is 176.25. This chemical may cause inflammation to the skin or other mucous membranes and should be sealed in cool, dry place. What's more, avoid contact with acids, alkalis, peroxides.

Physical properties about 4-tert-Butoxystyrene are: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.87; (5)ACD/BCF (pH 5.5): 517.27; (6)ACD/BCF (pH 7.4): 517.27; (7)ACD/KOC (pH 5.5): 3048.48; (8)ACD/KOC (pH 7.4): 3048.48; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.522; (12)Molar Refractivity: 57.71 cm³; (13)Molar Volume: 188.9 cm³; (14)Surface Tension: 30.3 dyne/cm; (15)Density: 0.932 g/cm³; (16)Flash Point: 97.1 °C; (17)Enthalpy of Vaporization: 47.43 kJ/mol; (18)Boiling Point: 256.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0243 mmHg at 25 °C.

Uses of 4-tert-Butoxystyrene: it is used to produce 4'-tert-butoxy-biphenyl-4-carboxylic acid methyl ester by reaction with 6-oxo-6H-pyran-3-carboxylic acid methyl ester. The reaction occurs with catalyst 10percent Pd/C and solvent m-xylene at the temperature of 140 °C for 10 hours. The yield is about 89%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: O(c1ccc(cc1)\C=C)C(C)(C)C
2. InChI: InChI=1/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3
3. InChIKey: GRFNSWBVXHLTCI-UHFFFAOYAO
4. Std. InChI: InChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3
5. Std. InChIKey: GRFNSWBVXHLTCI-UHFFFAOYSA-N