PREDICTION OF THE METABOLISM AND TOXICOLOGICAL PROFILES OF GASOLINE OXYGENATES
Authors: Zhang, Ying Ping; Macina, Orest T.; Rosenkranz, Herbert S.; Karol, Meryl H.; Mattison, Donald R.; Klopman, Gilles
Source: Inhalation Toxicology, Volume 9, Number 3, 1 April 1997 , pp. 237-254(18)
Publisher: Informa Healthcare
Abstract:Methyl tert -butyl ether (MTBE), ethyl tert -butyl ether (ETBE), tert -amyl methyl ether (TAME), and diisopropyl ether (DIPE) were evaluated with CASE/MULTICASE structure relational models in order to determine their potential to pose human health risks. None of the parent ethers were predicted to be sensory irritants, eye irritants, contact sensitizers, mutagens, developmental toxicants, or carcinogens. The putative metabolites of ETBE were generated by META, an expert system, and evaluated for their potential to contribute to toxicity. Several of the metabolites were predicted by CASE/MULTICASE to be sensory irritants, contact sensitizers, mutagens, developmental toxicants, and carcinogens. A preliminary examination of the putative metabolites of TAME and DIPE revealed the presence of epoxides, a class of chemicals associated with developmental toxicity, carcinogenicity, and dermal contact sensitivity.
Document Type: Research Article
Publication date: April 1, 1997