Methyl 4-methoxybutanoate

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: 35.53Ų; (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