1-Phenylhexane-2,4-dione
1-phenylhexane-2,4-dione
Also Known As: 1-phenylhexane-2,4-dione|1-phenyl-hexane-2,4-dione|1-phenyl-2,4-hexanedione|1-Phenyl-hexan-2,4-dion|NCIOpen2_000953
CAS: 966-47-2
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.09938 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.09938 |
| Monoisotopic Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 966-47-2 |
|---|---|
| SMILES | CCC(=O)CC(=O)CC1=CC=CC=C1 |
| InChIKey | COAYEGAVKIAWFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (44 patents)
Pharmaceutical Intermediates (9 patents)
Product Overview
1-Phenylhexane-2,4-dione (CAS 966-47-2), with molecular formula C12H14O2 and molecular weight 190.09938 g/mol. IUPAC: 1-phenylhexane-2,4-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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