FTIR, FT-Raman and quantum chemical investigations of 4,5-dimethyl-1,3-dioxol-2-one

► FTIR and FT-Raman investigations of 4,5-dimethyl-1,3-dioxol-2-one were carried out. ► The temperature dependence of the thermodynamic properties were investigated. ► Second order perturbation theory analysis by NBO method was carried out. ► The electrostatic potential, HOMO and LUMO energies were calculated. ► Effect of methyl groups on the frequencies of the 1,3-dioxol-2-one ring has been analysed.