Isopropyl acetoacetate
ALDRICH/689092 - Arxada quality, ≥99.0% (GC)
CAS Number: 542-08-5
Empirical Formula (Hill Notation): C7H12O3
Molecular Weight: 144.17
EC Number: 208-798-4
MDL Number: MFCD00043933
Linear Formula: CH3COCH2COOCH(CH3)2
Product Type: Chemical
| assay | ≥99.0% (GC) |
| bp | 95 °C/52 hPa (lit.) |
| density | 0.989 g/mL at 20 °C (lit.) |
| form | liquid |
| impurities | ≤0.10% acid (as acetic acid) |
| ≤0.10% water | |
| ≤0.5% ethyl acetoacetate | |
| InChI | 1S/C7H12O3/c1-5(2)10-7(9) |
| InChI key | GVIIRWAJDFKJMJ-UHFFFAOYSA |
| manufacturer/tradename | Arxada AG |
| quality | Arxada quality |
| Quality Level | 200  |
| SMILES string | CC(C)OC(=O)CC(C)=O |
| Application: | Isopropyl acetoacetate can be used as a reactant to synthesize: • Isopropyl 2-acetyl-3-phenyl-2-prope • Substituted 1,4-dihydropyridines by reacting with cinnamaldehydes and primary amines. • 5-Isopropoxycarbonyl-6- |
| Packaging: | 1 kg in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 |
| Hazard Codes | Xi |
| Risk Statements | 38 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 1 |
| Flash Point(F) | 159.8 °F - closed cup |
| Flash Point(C) | 71 °C - closed cup |
| Purity | ≥99.0% (GC) |
| bp | 95 °C/52 hPa (lit.) |
| Density | 0.989 g/mL at 20 °C (lit.) |
| UNSPSC | 12352100 |