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| IUPAC Name: | 4-phenylbutanoic acid |
| Description: | A chemical chaperone involved in protein-folding disorders. |
| Molecular Weight: | 164.20 |
| Molecular Formula: | C10H12O2 |
| Canonical SMILES: | C1=CC=C(C=C1)CCCC(=O)O |
| InChI: | InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) |
| InChI Key: | OBKXEAXTFZPCHS-UHFFFAOYSA-N |
| Boiling Point: | 165 ℃ (10 mmHg) |
| Melting Point: | 49-52ºC |
| Flash Point: | 187.9±13.9 °C |
| Purity: | ≥ 98 %, ≥ 95 % e.e. |
| Density: | 1.1±0.1 g/cm3 |
| Solubility: | In Vitro: DMSO : 100 mg/mL(609.01 mM;Need ultrasonic) H2O : 2 mg/mL(609.01 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline Solubility: ≥ 2.08 mg/mL (12.67 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20% SBE-β-CD in saline) Solubility: ≥ 2.08 mg/mL (12.67 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90% corn oil Solubility: ≥ 2.08 mg/mL (12.67 mM); Clear solution |
| Appearance: | White crystalline powder |
| Storage: | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| MDL: | MFCD00004403 |
| LogP: | 2.09390 |
| Vapor Pressure: | 0.0±0.6 mmHg at 25°C |
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