Acetophenone
SIAL/00790 - puriss. p.a., ≥99.0% (GC)
Synonym: Methyl phenyl ketone
CAS Number: 98-86-2
Empirical Formula (Hill Notation): C8H8O
Molecular Weight: 120.15
EC Number: 202-708-7
MDL Number: MFCD00008724
Linear Formula: CH3COC6H5
Product Type: Chemical
| assay | ≥99.0% (GC) |
| autoignition temp. | 1058 °F |
| bp | 202 °C (lit.) |
| cation traces | Al: ≤0.5 mg/kg |
| Ba: ≤0.1 mg/kg | |
| Bi: ≤0.1 mg/kg | |
| Ca: ≤0.5 mg/kg | |
| Cd: ≤0.05 mg/kg | |
| Co: ≤0.02 mg/kg | |
| Cr: ≤0.02 mg/kg | |
| Cu: ≤0.02 mg/kg | |
| Fe: ≤0.1 mg/kg | |
| K: ≤0.5 mg/kg | |
| Li: ≤0.1 mg/kg | |
| Mg: ≤0.1 mg/kg | |
| Mn: ≤0.02 mg/kg | |
| Mo: ≤0.1 mg/kg | |
| Na: ≤0.5 mg/kg | |
| Ni: ≤0.02 mg/kg | |
| Pb: ≤0.1 mg/kg | |
| Sr: ≤0.1 mg/kg | |
| Zn: ≤0.1 mg/kg | |
| density | 1.03 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | ketone |
| phenyl | |
| grade | puriss. p.a. |
| impurities | ≤0.02% free acid (as CH3COOH) |
| ≤0.3% water | |
| InChI | 1S/C8H8O/c1-7(9)8-5-3-2-4 |
| InChI key | KWOLFJPFCHCOCG-UHFFFAOYSA |
| mp | 19-20 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| n |
|
| SMILES string | CC(=O)c1ccccc1 |
| transition temp | solidification point 19-20 °C |
| vapor density | 4.1 (vs air) |
| vapor pressure | 0.45 mmHg ( 25 °C) |
| 1 mmHg ( 15 °C) |
| General description: | Acetophenone (Methyl phenyl ketone) is an alkyl phenyl ketone. Its triplet absorption spectra in non-polar solvents has been evaluated by nanosecond laser photolysis. Photoreduction of acetophenone has been investigated. N-chelate ligands based on chiral oxazolines catalyzed enantioselective hydrosilylation of acetophenone with α-naphtylphenylsilane has been reported. Intersystem crossing of aromatic aldehydes and ketones (benzaldehyde, acetophenone and benzophenone) has been studied. Rhodium(I) complexes containing optically active 2-(2′-pyridyl)pyridines efficiently catalyzes the reduction of acetophenone. |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 - H319 |
| Precautionary statements | P301 + P312 + P330 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 22-36 |
| Safety Statements | 26 |
| RIDADR | UN 3334 |
| WGK Germany | WGK 1 |
| Flash Point(F) | 179.6 °F - closed cup |
| Flash Point(C) | 82 °C - closed cup |
| Purity | ≥99.0% (GC) |
| bp | 202 °C (lit.) |
| mp | 19-20 °C (lit.) |
| Density | 1.03 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |