caffeine Search Term: caffeineSource Category: ASSISTCaffeine is on the Recommended Chemicals list for Australian schools. Synonyms: 1,3,7-trimethylxanthine; methyltheobromine; theobromine, 1-methyl-; theophylline, 7-methyl-; CAS Number: 58-08-2; Signal Word: Warning. Tags: 58-08-2methyltheobromine