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| IUPAC Name: | 4-phenylcyclohexan-1-one |
| Description: | 4-Phenylcyclohexanone (CAS# 4894-75-1) is used in the synthesis of CCR2 antagonists for the treatment of rheumatoid arthritis, atherosclerosis and other disease states. Also used in the preparation of coumarins via dehydrogenation and Heck coupling reactions. |
| Molecular Weight: | 174.24 |
| Molecular Formula: | C12H14O |
| Canonical SMILES: | C1CC(=O)CCC1C2=CC=CC=C2 |
| InChI: | InChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2 |
| InChI Key: | YKAYMASDSHFOGI-UHFFFAOYSA-N |
| Boiling Point: | 294 ℃ at 760 mmHg, 158-160 ℃ / 16mm |
| Melting Point: | 77-80 ℃ |
| Purity: | 98 % |
| Density: | 1.042 g/cm3 |
| Appearance: | White crystal to powder |
| Storage: | Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. |
| MDL: | MFCD00001641 |
| LogP: | 2.91330 |
| Vapor Pressure: | 0.00233 [mmHg] |
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