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| IUPAC Name: | 1-tert-butyl-3,5-dimethylbenzene |
| Description: | 1-tert-Butyl-3,5-dimethylbenzene (CAS# 98-19-1) is a reagent used in the synthesis of polyarenes as oligonapthalene derivatives as well as in the preparation of arylsulfur trifluorides from diaryl disulfides. Xylometazoline derivative, a vasoconstrictor involved in signal transduction, also used as a nasal decongestant. May be used in treatments involving ischemic injury due to the ability to shift energy metabolism from mitochondrial to glycolysis (2). |
| Molecular Weight: | 162.27 |
| Molecular Formula: | C12H18 |
| Canonical SMILES: | CC1=CC(=CC(=C1)C(C)(C)C)C |
| InChI: | InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3 |
| InChI Key: | FZSPYHREEHYLCB-UHFFFAOYSA-N |
| Boiling Point: | 205-206 ℃ (lit.) |
| Melting Point: | -18 ℃ |
| Purity: | 95 % |
| Density: | 0.86 g/cm3 |
| Appearance: | Clear colourless to slightly yellow liquid |
| Storage: | Sealed in dry, 2-8 ℃ |
| MDL: | MFCD00008832 |
| LogP: | 3.60090 |
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