3-Penten-2-one
ALDRICH/145017 - 70%
Synonym: Methyl propenyl ketone
CAS Number: 625-33-2
Empirical Formula (Hill Notation): C5H8O
Molecular Weight: 84.12
EC Number: 210-888-3
MDL Number: MFCD00009290
Linear Formula: CH3CH=CHCOCH3
Product Type: Chemical
| assay | 70% |
| bp | 121-124 °C (lit.) |
| density | 0.862 g/mL at 25 °C (lit.) |
| form | liquid |
| impurities | <2% ethanol |
| 30% mesityl oxide | |
| InChI | 1S/C5H8O/c1-3-4-5(2)6/h3- |
| InChI key | LABTWGUMFABVFG-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(C=CC)=O |
| vapor pressure | 760 mmHg ( 121 °C) |
| Application: | 3-Penten-2-one was used in the synthesis of the alkaloids (+/-)-senepodine G and (+/-)-cermizine C. |
| Biochem/physiol Actions: | 3-Penten-2-one inhibits nitric oxide production and inducible nitric oxide synthase expression via heme oxygenase-1 expression in lipopolysaccharide-activa |
| General description: | 3-Penten-2-one is volatile compound present in berry fruit of two Aronia melanocarpa genotypes. Urinary 3-penten-2-one is a useful biomarker for increased accumulation of acetaldehyde during abnormal metabolic stress. |
| Packaging: | 1, 5, 25 g in glass bottle |
| Symbol |   GHS02,GHS06 |
| Signal word | Danger |
| Hazard statements | H225 - H311 - H315 - H319 - H335 |
| Precautionary statements | P210 - P280 - P302 + P352 + P312 - P305 + P351 + P338 |
| Hazard Codes | F,Xn |
| Risk Statements | 11-21-36/37/38 |
| Safety Statements | 16-26-33-36/37/39 |
| RIDADR | UN 1992 6.1(3) / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 69.8 °F - closed cup |
| Flash Point(C) | 21 °C - closed cup |
| Purity | 70% |
| bp | 121-124 °C (lit.) |
| Density | 0.862 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |