The compound was first prepared by George Buckton in 1857 by a reaction of methylmercury iodide with potassium cyanide:[3] Later, Edward Frankland discovered that it could be synthesized by treating sodium amalgam with methyl halides: It can also be obtained by alkylation of mercuric chloride with methyllithium: The molecule adopts a linear structure with Hg–C bond lengths of 2.083 Å.

[4] Dimethylmercury is stable in water and reacts with mineral acids at a significant rate only at elevated temperatures,[5][6] whereas the corresponding organocadmium and organozinc compounds (and most metal alkyls in general) hydrolyze rapidly.

It has been studied for reactions involving bonding methylmercury cations to target molecules, forming potent bactericides, but methylmercury's bioaccumulation and ultimate toxicity has led to it being largely abandoned in favor of the less toxic ethylmercury and diethylmercury compounds, which perform a similar function without the bioaccumulation hazard.

[8][9][10] Around 1960, Phil Pomerantz, a man working at the Bureau of Naval Weapons, suggested that dimethylmercury be used as a fuel mix with red fuming nitric acid.

[2] Since it is highly lipophilic, it absorbs through the skin and into body fat very easily and can permeate many materials, including many plastics and rubber compounds.