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CAS No.: | 2282-84-0 |
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Name: | Methyl 2,4,6-trimethylbenzoate |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C11H14 O2 |
Molecular Weight: | 178.231 |
Synonyms: | 2,4,6-Trimethylbenzoicacid methyl ester;Methyl 2,4,6-trimethylbenzoate;Methyl mesitoate;Methyl b-isodurilate;b-Isodurilic acid methyl ester; |
Density: | 1.011 g/cm3 |
Boiling Point: | 239 °C at 760 mmHg |
Flash Point: | 98 °C |
PSA: | 26.30000 |
LogP: | 2.39840 |
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The Methyl 2,4,6-trimethylbenzoate , with CAS register number 2282-84-0, also has other names such as 2,4,6-Trimethylbenzoicacid methyl ester , Methyl 2,4,6-trimethylbenzoate , and so on.
Properties of this chemical:(1)H bond acceptors: 2 ; (2)Freely Rotating Bonds: 2 ; (3)Polar Surface Area: 26.3 ; (4)Index of Refraction: 1.507 ;(5)Molar Refractivity: 52.5 cm3 ; (6)Molar Volume: 176.1 cm3 ; (7)Polarizability: 20.81 ×10-24cm3 ; (8)Surface Tension: 33.9 dyne/cm ; (9)Enthalpy of Vaporization: 47.59 kJ/mol ; (10)Vapour Pressure: 0.0411 mmHg at 25°C.
When in lab, you could make this kind of chemical by using the following ways:
The first way is to put the reactant of 2,4,6-trimethyl-benzoic acid in the chemical reagent of anhydrous sulfuric acid and methanol , then you could abtain this chemical; Or under the ambient temperature, you just put the reactant 2,4,6-trimethyl-benzoic acid into the mixture reagent of methanol and benzene, and let it react for about 30 minutes, then you could also obtain the chemical of 2,4,6-trimethyl-benzoic acid methyl ester . With the second reaction, you could get the productivity up to 70%.
The second way is to put methanol and 2,4,6-trimethyl-benzoic acid into the reagent of DCC, 4-dimethylaminopyridine , then you could get 2,4,6-trimethyl-benzoic acid methyl ester ; Or under the reaction conditon with the reaction temperature ( 148 - 159 ℃) and reaction pressure (9375.7), put these two kinds of reactants into the chemical reagent of H2SO4 , and let it react for about 5.2 minutes, then you could get the chemical you need. The productivity of the second reaction is up to 100%.
This kind of chemical belongs to the category of aromatic esters and is usually used in chemical intermediate in organic synthesis. In addition, you could convert the following data information into molecular structure:
SMILES:
O=C(OC)c1c(cc(cc1C)C)C
InChI:
InChI=1/C11H14O2/c1-7-5-8(2)10(9(3)6-7)11(12)13-4/h5-6H,1-4H3