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| IUPAC Name: | octan-2-one |
| Description: | 2-Octanone (CAS# 111-13-7) is a reagent used as a fragrance and flavoring ingredient. |
| Molecular Weight: | 128.21 |
| Molecular Formula: | C8H16O |
| Canonical SMILES: | CCCCCCC(=O)C |
| InChI: | InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3 |
| InChI Key: | ZPVFWPFBNIEHGJ-UHFFFAOYSA-N |
| Boiling Point: | 172.50 °C (EPI 4.0) |
| Melting Point: | -16°C |
| Flash Point: | 55°C |
| Purity: | 97.5 % |
| Density: | 0.819 g/cm3 |
| Solubility: | H2O=884.2mg/L @ 25 °C; soluble in alcohol. |
| Appearance: | Colorless to pale yellow liquid |
| Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
| Decomposition: | When heated to decomposition it emits acrid smoke and irritating fumes |
| MDL: | MFCD00009540 |
| LogP: | 2.54580 |
| Refractive Index: | 1.414 : 1.418 at 20 deg C |
| Stability: | Stable. Incompatible with strong oxidizing agents. Flammable. |
| Vapor Pressure: | 1.35 [mmHg] |
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