Products Description of Acetylacetone CAS#123-54-6
Acetylacetone, also known as 2,4-pentanedione, is a β-diketone organic compound with molecular formula C₅H₈O₂ and molecular weight 100.12. It is a colorless to pale yellow transparent liquid with a characteristic odor. It is miscible with ethanol, ether, acetone and most organic solvents, and slightly soluble in water.
This substance exists in tautomeric keto-enol forms, and the enol form enables easy chelation with various metal ions. It has moderate volatility and reacts readily with metals, amines and other reagents. Widely used as an important fine chemical raw material and metal chelating agent.
Acetylacetone Chemical Properties
| Melting point | -23 °C (lit.) |
| Boiling point | 140.4 °C (lit.) |
| density | 0.975 g/mL at 25 °C (lit.) |
| vapor density | 3.5 (vs air) |
| vapor pressure | 6 mm Hg ( 20 °C) |
| refractive index | n20/D 1.452(lit.) |
| Fp | 66 °F |
| storage temp. | Store below +30°C. |
| solubility | H2O: soluble1 in 8 parts |
| pka | 8.9(at 25℃) |
| form | Liquid |
| color | Colorless to slightly yellow |
| Relative polarity | 0.571 |
| PH | 6 (200g/l, H2O, 20℃) |
| Odor | pleasant odor |
| explosive limit | 2.4-11.4%(V) |
| Water Solubility | 16 g/100 mL (20 ºC) |
| Merck | 14,81 |
| BRN | 741937 |
| Exposure limits | No exposure limit has been set. |
| Dielectric constant | 23.1（20℃） |
| InChIKey | YRKCREAYFQTBPV-UHFFFAOYSA-N |
| LogP | 0.68 at 20℃ |
| CAS DataBase Reference | 123-54-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Acetylacetone(123-54-6) |
| EPA Substance Registry System | Acetylacetone (123-54-6) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 11-36/37/38-22-10-R22-R10-20/21/22-2017/10/22 |
| Safety Statements | 21-23-24/25-36-26-S24/25-S23-S21 |
| RIDADR | UN 2310 3/PG 3 |
| WGK Germany | 1 |
| RTECS | SA1925000 |
| F | 46288 |
| Autoignition Temperature | 662 °F |
| TSCA | Yes |
| HS Code | 2914 19 90 |
| HazardClass | 3 |
| PackingGroup | III |
| Hazardous Substances Data | 123-54-6(Hazardous Substances Data) |
| Toxicity | LC50 (4 hrs) in rats: 1000 ppm (Carpenter) |
Product Application of Acetylacetone CAS#123-54-6
Acetylacetone represents a vital intermediate for organic synthesis. It undergoes reactions with guanidine to generate 2-amino-4,6-dimethylpyrimidine, and acts as an essential feedstock for pharmaceutical manufacturing.
Furthermore, it finds applications as a solvent for cellulose acetate, an additive for gasoline and lubricants, and a drier for paints and varnishes. It can also be deployed as fungicides and insecticides. Besides these uses, acetylacetone works as a catalyst in petroleum cracking, hydrogenation and carbonylation reactions, as well as an oxidation accelerator. It is capable of eliminating metal oxides from porous substrates and is applied in the treatment of polypropylene catalysts.
