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| IUPAC Name: | 2-hydroxy-1-phenylethanone |
| Description: | 2-Hydroxyacetophenone (CAS# 582-24-1) is a useful reactant for synthesis of diarylpyrazoles as cyclooxygenase 2 inhibitors. |
| Molecular Weight: | 136.15 |
| Molecular Formula: | C8H8O2 |
| Canonical SMILES: | C1=CC=C(C=C1)C(=O)CO |
| InChI: | InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2 |
| InChI Key: | ZWVHTXAYIKBMEE-UHFFFAOYSA-N |
| Boiling Point: | 126 ℃ / 12 mmHg |
| Melting Point: | 86-89 °C(lit.) |
| Flash Point: | 100.4±12.4 °C |
| Purity: | ≥98% (HPLC) |
| Density: | 1.149 g/cm3 |
| Solubility: | In Vitro: DMSO : 25 mg/mL(183.62 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (18.36 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20% SBE-β-CD in saline) Solubility: ≥ 2.5 mg/mL (18.36 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90% corn oil Solubility: ≥ 2.5 mg/mL (18.36 mM); Clear solution |
| Appearance: | White to off-white (Solid) |
| Storage: | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| LogP: | 0.86160 |
| Vapor Pressure: | 0.0±0.5 mmHg at 25°C |
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