3-Benzylidene-2,4-pentanedione
- Product Name3-Benzylidene-2,4-pentanedione
- CAS4335-90-4
- CBNumberCB5697560
- MFC12H12O2
- MW188.22
- EINECS224-382-5
- MDL NumberMFCD00014990
- MOL File4335-90-4.mol
- MSDS FileSDS
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) |
| EWG's Food Scores | 1 |
| EPA Substance Registry System | 2,4-Pentanedione, 3-(phenylmethylene)- (4335-90-4) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
|
|||||||||
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| 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, | |||||||||
| NFPA 704: |
|