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00790

Sigma-Aldrich

Acetophenone

puriss. p.a., ≥99.0% (GC)

Synonym(s):

Methyl phenyl ketone

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About This Item

Linear Formula:
CH3COC6H5
CAS Number:
98-86-2
Molecular Weight:
120.15
Beilstein:
605842
EC Number:
202-708-7
MDL number:
MFCD00008724
UNSPSC Code:
12352100
eCl@ss:
39023804
PubChem Substance ID:
329747139
NACRES:
NA.21

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

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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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

179.6 °F - closed cup

Flash Point(C)

82 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ4187
BCCC3642
BCBV9584
BCBR7256V
BCBN2524V

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Optically active nitrogen ligans: III. Enantioface-discriminating transfer hydrogenation of acetophenone catalyzed by rhodium (I) complexes with chiral 2-(2'-pyridyl) pyridines.
Botteghi C, et al.
Journal of Organometallic Chemistry, 304(1), 217-225 (1986)
Comment on "closing the loop on bond selective chemistry using tailored strong field laser pulses".
Xin Zhu et al.
The journal of physical chemistry. A, 113(17), 5264-5266 (2009-04-24)
Effects of solvent and substituents on the absorption spectra of triplet acetophenone and the acetophenone ketyl radical studied by nanosecond laser photolysis.
Lutz H, et al.
The Journal of Physical Chemistry, 77(14), 1758-1762 (1973)
Ohmori N, et al.
The Journal of Physical Chemistry, 92(5), 1086-1093 (1988)
Photoreduction of acetophenone and substituted acetophenones.
Yang N-C, et al.
Journal of the American Chemical Society, 89(21), 5466-5468 (1967)
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