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| IUPAC Name: | 1-(4-hydroxy-3-methylphenyl)ethanone |
| Description: | 4'-Hydroxy-3'-methylacetophenone is a phenolic volatile compound isolated from Hawaiian green coffee beans (Coffea Arabica L.), which has strong antioxidant activity. It also can be used to synthesize heterocyclic compounds with antimycobacterial activity. |
| Molecular Weight: | 150.17 |
| Molecular Formula: | C9H10O2 |
| Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)C)O |
| InChI: | InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3 |
| InChI Key: | LXBHHIZIQVZGFN-UHFFFAOYSA-N |
| Boiling Point: | 301.6±22.0°C at 760 mmHg |
| Melting Point: | 106-108°C |
| Purity: | ≥95% |
| Density: | 1.106 g/cm3 |
| Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
| Appearance: | White to Pale Beige Solid |
| Storage: | Store at 2-8°C under inert atmosphere |
| MDL: | MFCD00002231 |
| LogP: | 1.90320 |
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