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| IUPAC Name: | 2,2-dimethylcyclohexan-1-one |
| Description: | 2,2-Dimethylcyclohexanone (CAS# 1193-47-1) is a useful synthetic intermediate. It is used as a reagent to prepare 9-cis-retinoic acid ring-demethylated analogs. It is also used to prepare selective Janus kinase inhibitors for the treatment of autoimmune diseases and organ transplant rejection. |
| Molecular Weight: | 126.20 |
| Molecular Formula: | C8H14O |
| Canonical SMILES: | CC1(CCCCC1=O)C |
| InChI: | InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3 |
| InChI Key: | KNSPBSQWRKKAPI-UHFFFAOYSA-N |
| Boiling Point: | 170.6 ℃ at 760 mmHg |
| Melting Point: | -20 ℃ (lit.) |
| Purity: | 95 % |
| Density: | 0.892 g/cm3 |
| Appearance: | Colorless liquid |
| MDL: | MFCD00134382 |
| LogP: | 2.15570 |
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