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EC number: 208-760-7
CAS number: 540-88-5
The absorption, distribution, metabolism, and excretion of 14C-tertiary
butyl acetate was studied in rats exposed by inhalation for 6 hours to
concentrations of 100 or 1000 ppm which are approximately 2% and 20%,
respectively, of the LC50 of this compound. Rats inhaled five times more
tertiary butyl acetate during a 6 hour exposure to 1000 ppm 14C-tertiary
butyl acetate than from exposure to100 ppm and excretion in air during
the first 12 hours following exposure was five times higher at 1000
ppm. There was some evidence of partial saturation of tertiary butyl
acetate absorption and metabolism at some concentration below 1000 ppm.
Approximately 5% of the lower dose and 26% of the higher dose was
expired within 12 hours, while the retained material was rapidly
metabolized and excreted, mostly in the urine, within 24 hours. Very
little radioactivity remained in the tissues after Day 7. Tertiary butyl
acetate metabolites were identified by molecular weight and fragment
ions from MS/MS. The metabolism of tertiary butyl acetate appears to
follow two major routes: hydroxylation of the tertiary-butyl moiety to
form 2-hydroxymethylisopropyl acetate and ester hydrolysis to form
tertiary butyl alcohol. A minor route involves oxidation of the acetate
moiety followed by glucuronide conjugation. Based on the proportion of
metabolites that can clearly be assigned to one or the other major
pathways, hydroxylation of the tertiary-butyl moiety prevails at 100
ppm, while hydrolysis of the ester bond predominates at 1000 ppm.
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