3-Benzylidene-2,4-pentanedione
- Product Name3-Benzylidene-2,4-pentanedione
- CAS4335-90-4
- MFC12H12O2
- MW188.22
- EINECS224-382-5
- MOL File4335-90-4.mol
Chemical Properties
| Melting point | 169 °C |
| Boiling point | 185-188 °C/15 mmHg (lit.) |
| Density | 1.081 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point | >230 °F |
| storage temp. | Storage temp. 2-8°C |
| form | liquid |
| Specific Gravity | 1.081 |
| Appearance | Light yellow to yellow Liquid |
| BRN | 972849 |
| InChI | 1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3 |
| InChIKey | NYRGMNMVISROGJ-UHFFFAOYSA-N |
| SMILES | CC(=O)\C(=C\c1ccccc1)C(C)=O |
| CAS DataBase Reference | 4335-90-4(CAS DataBase Reference) |
| EPA Substance Registry System | 2,4-Pentanedione, 3-(phenylmethylene)- (4335-90-4) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | SA1930000 |
| TSCA | TSCA listed |
| HS Code | 2914390090 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity | mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08898, |