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Merck
CN

00790

Acetophenone

≥99.0% (GC), liquid, puriss. p.a.

Synonym(s):

Methyl phenyl ketone

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About This Item

Linear Formula:
CH3COC6H5
CAS Number:
Molecular Weight:
120.15
NACRES:
NA.21
PubChem Substance ID:
eCl@ss:
39023804
UNSPSC Code:
12352100
EC Number:
202-708-7
MDL number:
Beilstein/REAXYS Number:
605842
Assay:
≥99.0% (GC)
Form:
liquid
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Product Name

Acetophenone, puriss. p.a., ≥99.0% (GC)

vapor density

4.1 (vs air)

Quality Level

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

functional group

ketone, phenyl

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

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.


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pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk

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



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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)
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)



Global Trade Item Number

SKUGTIN
00790-250ML04061838606266