Ethyl acetoacetate
ALDRICH/688983 - Arxada quality, ≥99.0% (GC)
Synonym: Acetoacetic ester
CAS Number: 141-97-9
Empirical Formula (Hill Notation): C6H10O3
Molecular Weight: 130.14
EC Number: 205-516-1
MDL Number: MFCD00009199
Linear Formula: CH3COCH2COOC2H5
Product Type: Chemical
| assay | ≥99.0% (GC) |
| autoignition temp. | 580 °F |
| bp | 180 °C |
| 181 °C (lit.) | |
| color | APHA: ≤15 |
| density | 1.029 g/mL at 20 °C (lit.) |
| expl. lim. | 9.5 % |
| form | liquid |
| impurities | ≤0.05% water |
| ≤0.10% acid (as acetic acid) | |
| InChI | 1S/C6H10O3/c1-3-9-6(8)4-5 |
| InChI key | XYIBRDXRRQCHLP-UHFFFAOYSA |
| manufacturer/tradename | Arxada AG |
| mp | −43 °C (lit.) |
| quality | Arxada quality |
| SMILES string | CCOC(=O)CC(C)=O |
| solubility | water: soluble 130 g/L at 20 °C |
| vapor density | 4.48 (vs air) |
| vapor pressure | 1 mmHg ( 28.5 °C) |
| Application: | Ethyl acetoacetate can undergo: • Transesterification with primary and secondary alcohols in the presence of boric acid. • Microbial reduction to form (S)-ethyl 3-hydroxybutyrate. • C-acylation by acid chlorides in the presence of magnesium chloride and pyridine. • Asymmetric biphasic catalytic hydrogenation in the presence of a water-soluble ruthenium-BINAP complex. |
| Packaging: | 1 kg in poly bottle |
| RIDADR | NA 1993 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 164.3 °F - closed cup |
| Flash Point(C) | 73.5 °C - closed cup |
| Purity | ≥99.0% (GC) |
| bp | 180 °C; 181 °C (lit.) |
| mp | −43 °C (lit.) |
| Density | 1.029 g/mL at 20 °C (lit.) |
| UNSPSC | 12352100 |