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| IUPAC Name: | hexane-2,5-dione |
| Description: | 2,5-Hexanedione (CAS# 110-13-4) is the metabolite implicated in n-hexane neurotoxicity. |
| Molecular Weight: | 114.14 |
| Molecular Formula: | C6H10O2 |
| Canonical SMILES: | CC(=O)CCC(=O)C |
| InChI: | InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3 |
| InChI Key: | OJVAMHKKJGICOG-UHFFFAOYSA-N |
| Boiling Point: | 185-193 °C |
| Melting Point: | -6 °C |
| Flash Point: | 78°C |
| Purity: | 95 % |
| Density: | 0.973 g/cm3 |
| Solubility: | water, 1.791e+005 mg/L @ 25 °C (est) |
| Appearance: | Clear slight brown liquid |
| Storage: | Keep away from heat, sparks, and flame. Store in a cool, dry place. Keep container closed when not in use. Flammables-area. |
| MDL: | MFCD00008792 |
| LogP: | 0.94460 |
| Refractive Index: | 1.425-1.427 |
| Stability: | Stable. Incompatible with strong bases, strong reducing agents, strong oxidizing agents. Flammable. |
| Vapor Pressure: | 0.43 mmHg at 68 °F ; 1.6 mmHg at 77 °F |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
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