00790

Acetophenone

puriss. p.a., ≥99.0% (GC)

• Synonym(s): Methyl phenyl ketone
• Linear Formula: CH₃COC₆H₅
• CAS Number: 98-86-2
• Molecular Weight: 120.15
• Beilstein/REAXYS Number: 605842
• EC Number: 202-708-7
• MDL number: MFCD00008724
• UNSPSC Code: 12352100
• eCl@ss: 39023804
• PubChem Substance ID: 329747139
• NACRES: NA.21

Properties

• vapor density: 4.1 (vs air)
• Quality Level: 200
• vapor pressure: 0.45 mmHg ( 25 °C); 1 mmHg ( 15 °C)
• grade: puriss. p.a.
• assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 1058 °F
• impurities: ≤0.02% free acid (as CH₃COOH); ≤0.3% water
• refractive index: n20/D 1.534 (lit.); n20/D 1.535
• bp: 202 °C (lit.)
• mp: 19-20 °C (lit.)
• transition temp: solidification point 19-20 °C
• density: 1.03 g/mL at 25 °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
• SMILES string: CC(=O)c1ccccc1
• InChI: 1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
• InChI key: KWOLFJPFCHCOCG-UHFFFAOYSA-N

Description

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H319
• pcodes: P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 1
• flash_point_f: 179.6 °F - closed cup
• flash_point_c: 82 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter