1-Penten-3-one
ALDRICH/E51309 - contains 0.1% BHT as stabilizer, 97%
Synonym: Ethyl vinyl ketone
CAS Number: 1629-58-9
Empirical Formula (Hill Notation): C5H8O
Molecular Weight: 84.12
MDL Number: MFCD00009316
Linear Formula: C2H5COCH=CH2
Product Type: Chemical
FT-NMR Spectra for Ethyl vinyl ketone.
| assay | 97% |
| bp | 38 °C/60 mmHg (lit.) |
| contains | 0.1% BHT as stabilizer |
| density | 0.845 g/mL at 25 °C (lit.) |
| 0.851 g/mL at 20 °C | |
| form | liquid |
| InChI | 1S/C5H8O/c1-3-5(6)4-2/h3H |
| InChI key | JLIDVCMBCGBIEY-UHFFFAOYSA |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | CCC(=O)C=C |
| storage temp. | −20°C |
| Application: | 1-Penten-3-one can be used as a reactant to synthesize: • Conjugated dienes via palladium-catalyzed Heck reaction with vinyl bromides. • β-Amino carbonyl derivatives via solvent-free aza-Michael addition reaction with aromatic amines in the presence of ionic liquid catalyst. • α-Exo-methylene group bearing β-amino carbonyl compounds via ion-supported triphenylphosphine catalyzed aza‐Morita‐Baylis-Hillman reaction with N-tosyl arylimines. |
| Application: | Reagent for annulation. |
| General description: | 1-Penten-3-one also known as Ethyl vinyl ketone, is a straight-chain aliphatic α, β -unsaturated ketone, commonly used in the coupling reaction for the synthesis of diene and six-membered ring compounds. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol |    GHS02,GHS05,GHS06 |
| Signal word | Danger |
| Hazard statements | H225 - H301 + H311 + H331 - H314 |
| Precautionary statements | P210 - P280 - P301 + P310 + P330 - P301 + P330 + P331 - P303 + P361 + P353 - P305 + P351 + P338 + P310 |
| Hazard Codes | F,T |
| Risk Statements | 11-23/24/25-34 |
| Safety Statements | 16-26-36/37/39-45 |
| RIDADR | UN 3286 8(6.1)(3) / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 14.0 °F - closed cup |
| Flash Point(C) | -10 °C - closed cup |
| Purity | 97% |
| bp | 38 °C/60 mmHg (lit.) |
| Density | 0.851 g/mL at 20 °C; 0.845 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | −20°C |
| UNSPSC | 12352100 |