The cas register number of Methyl 4-methoxybutanoate is 29006-01-7. It also can be called as 4-Methoxybutyric acid methyl ester and the Systematic name about this chemical is methyl 4-methoxybutanoate. It belongs to the following product categories, such as C6 to C7, Carbonyl Compounds, Esters and so on. This chemical is flammable. When you are using it, please keep away from sources of ignition.
Physical properties about Methyl 4-methoxybutanoate are: (1)ACD/LogP: 0.40; (2)ACD/LogD (pH 5.5): 0.4; (3)ACD/LogD (pH 7.4): 0.4; (4)ACD/BCF (pH 5.5): 1.19; (5)ACD/BCF (pH 7.4): 1.19; (6)ACD/KOC (pH 5.5): 39.51; (7)ACD/KOC (pH 7.4): 39.51; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 35.53Å2; (11)Index of Refraction: 1.4; (12)Molar Refractivity: 33.36 cm3; (13)Molar Volume: 137.4 cm3; (14)Polarizability: 13.22x10-24cm3; (15)Surface Tension: 27.6 dyne/cm; (16)Enthalpy of Vaporization: 39.17 kJ/mol; (17)Vapour Pressure: 3.1 mmHg at 25°C.
Preparation: this chemical can be prepared by dihydro-furan-2-one and trimethoxymethane. This reaction will need reagent H2SO4 and solvent methanol. The reaction time is 12 hour(s) with reaction temperature of 50 ℃. The yield is about 86 %.
Uses of Methyl 4-methoxybutanoate: it can be used to produce 2,2-Dimethyl-8-methoxyoctan-3,5-dion with 3,3-dimethyl-butan-2-one at Heating. This reaction will need reagent NaH and solvent 1,2-dimethoxy-ethane with reaction time of 18 hour(s). The yield is about 65.5 %.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCOC
(2)InChI: InChI=1/C6H12O3/c1-8-5-3-4-6(7)9-2/h3-5H2,1-2H3
(3)InChIKey: VHDGWXQBVWAMJA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H12O3/c1-8-5-3-4-6(7)9-2/h3-5H2,1-2H3
(5)Std. InChIKey: VHDGWXQBVWAMJA-UHFFFAOYSA-N
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