| acetic acid isopropyl ester; acetic acid 1-methylethyl ester; isopropyl acetate; isopropyl ethanoate; 1-methylethyl ethanoate; propan-2-yl acetate | |
| Links: | 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed |
| CAS RN: | [108-21-4] |
| Formula: | C5H10O2; 102.13 g/mol |
| InChiKey: | JMMWKPVZQRWMSS-UHFFFAOYSA-N |
| SMILES: | CC(C)OC(C)=O |
| Use: | artificial apple, banana, currant, grape, peach, and pear flavors |
| Toxicology (LD50): | 1 000 mg/Kg (rat, or); 6 750 mg/Kg(rat, or); 6 750 mg/Kg(rat, or) |
| Density: | 0.874 g/mL |
| Molar volume: | 116.9 mL/mol |
| Refractive index: | 1.375 |
| Molecular refractive power: | 26.75 mL/mol |
| Dipole moment: | 1.75 D |
| Melting point: | -69 °C |
| Boiling point: | 88 °C |
| Vapour pressure: | 47 Torr |
| Antoine equation P(Torr) vs T(°C) | |
| Surface tension: | 22.10 dyn/cm |
| Viscosity: | 0.46 cP |
| Critical temperature: | 265 °C |
| Critical pressure: | 36.0 atm |
| Critical volume: | 336.00 ml/mol |
| Evaporation rate (ether): | 4.0 |
| Evaporation rate (butyl acetate): | 3.6 |
| Solubility in water: | 3 % w/w |
| Solubility of water: | 3 % w/w |
| Log10 partition water / activated carbon: | 2.63 |
| Log10 partition octanol / water: | 1.22 |
| Hildebrant solubility parameter (δ): | 8.5 |
| Hansen solubility parameter: | δd: 7.3 (cal/mL)^0.5 δp: 2.2 (cal/mL)^0.5 δh: 4.0 (cal/mL)^0.5 |
| Specific heat capacity: | 50.0 cal/molK |