Acetylacetone
SIAL/05581 - analytical standard
Synonym: 2,4-Pentanedione
CAS Number: 123-54-6
Empirical Formula (Hill Notation): C5H8O2
Molecular Weight: 100.12
EC Number: 204-634-0
MDL Number: MFCD00008787
Linear Formula: CH3COCH2COCH3
Product Type: Chemical
| application(s) | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| assay | ≥99.6% (GC) |
| autoignition temp. | 662 °F |
| bp | 140.4 °C (lit.) |
| density | 0.975 g/mL at 25 °C (lit.) |
| expl. lim. | 11.4 % |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C5H8O2/c1-4(6)3-5(2)7/ |
| InChI key | YRKCREAYFQTBPV-UHFFFAOYSA |
| mp | −23 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CC(=O)CC(C)=O |
| solubility | H2O: soluble |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor density | 3.5 (vs air) |
| vapor pressure | 6 mmHg ( 20 °C) |
| Application: | Acetylacetone has been used as a volatile eluent modifier to remediate the detrimental impacts of metal cations during the quantification of energy metabolites by ultrahigh pressure-liquid chromatography-electrospr |
| General description: | Acetylacetone is a β-diketone, which contains two carbonyl groups and one active methylene group. |
| Symbol |   GHS02,GHS06 |
| Signal word | Danger |
| Hazard statements | H226 - H302 - H311 + H331 |
| Precautionary statements | P210 - P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P311 |
| Hazard Codes | Xn |
| Risk Statements | 10-20/21/22 |
| Safety Statements | 21-23-24/25 |
| RIDADR | UN 2310 6.1(3) / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 95.0 °F - Non-equilibrium m |
| Flash Point(C) | 35 °C - Non-equilibrium met |
| Purity | ≥99.6% (GC) |
| bp | 140.4 °C (lit.) |
| mp | −23 °C (lit.) |
| Density | 0.975 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116107 |