2,5-Dimethylbenzoic acid methyl ester

CAS: 13730-55-7

Ref. 3D-FD67731

Product Information

• Name: 2,5-Dimethylbenzoic acid methyl ester
• Brand: Biosynth
• Description: 2,5-Dimethylbenzoic acid methyl ester is an organic compound that belongs to the class of diketones. It is a crystalline solid with a melting point of about 120 °C. The compound is used for the synthesis of other chemicals and as a precursor to pharmaceuticals. 2,5-Dimethylbenzoic acid methyl ester can be produced by photocycloaddition, which involves uv irradiation and heat. This reaction produces two isomers: trans-2,5-dimethylbenzoic acid methyl ester and cis-2,5-dimethylbenzoic acid methyl ester. Trans-2,5-dimethylbenzoic acid methyl ester has been shown to undergo conformational change when heated to 120 °C, while cis-2,5-dimethylbenzoic acid methyl ester does not show this effect.

Chemical properties

• Molecular weight: 164.2 g/mol
• Formula: C₁₀H₁₂O₂
• Purity: Min. 95 Area-%
• Color/Form: Powder
• InChI: InChI=1S/C10H12O2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h4-6H,1-3H3
• InChI key: InChIKey=YILVOENZHZWHHK-UHFFFAOYSA-N
• SMILES: COC(=O)c1cc(C)ccc1C