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| Identity |
| 3D Structure |
| Physicochemical data |
| Environmental fate |
| Mammal toxicology |
| Ecotoxicology |
| Metabolism |
| Safety classifications |
| Evaluation |
2-Nitrotoluene [88-72-2] |
| Metabolisation of 2-nitrotoluene (1) in mammals proceeds via 2-nitrobenzyl alcohol (2) (52%), which is conjugated with glucuronic acid to (3) (28%) or oxidized further to 2-nitrobenzoic acid (5) (3%) and other products. The gut flora can reduce 2-nitrobenzyl alcohol (2) to 2-aminobenzyl alcohol (4), which becomas acetylated in the liver to yield (10) or hydroxylated to (6). 2-aminobenzyl alcohol (4) as well as its N-acetylated derivative can be esterified with sulfate and react with glutathion. The mercapturic acids (9) and (12) are excreted in urine. The hydroxylamine derivative (6) may also be esterified with sulfate and is able to alkylate biological macromolecules - a mechanism of producing cancer. |
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