CAS 1013-01-0: 1,3-Dimethyl-2,4(1H,3H)-quinazolinedione

1,3-Dimethylquinazoline-2,4(1H,3H)-dione (1,3-DMQ) is a heterocyclic compound that has six and five membered rings. It is a white solid that can be found in nature as a component of the toxic plant Digitalis lanata. 1,3-DMQ has been identified as the major odorant in coffee. The frequency of the vibration of this compound is high when compared to other organic compounds such as caffeine. 1,3-DMQ absorbs infrared radiation at a frequency of 2187 cm−1. This property can be used to identify its presence in an unknown mixture. The resonance between the two methyl groups causes the molecule to rotate or vibrate at a frequency of 1750 cm−1.