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Acetophenone CAS 98-86-2

Acetophenone, also known as acetophenone, has a boiling point (℃): 202.3, relative density (water = 1): 1.03 (20℃), relative vapor density (air = 1): 4.14. It is the simplest aromatic ketone, in which the aromatic nucleus (benzene ring) is directly connected to the carbonyl group. It exists in the essential oils of some plants in a free state. The pure product is a colorless crystal. Most of the commercial products are light yellow oily liquids. It has a hawthorn-like aroma. It is slightly soluble in water and easily soluble in a variety of organic solvents, and can evaporate with steam. Acetophenone molecular structure: the methyl C atom forms a bond with an sp3 hybrid orbital, and the benzene ring and the carbonyl C atom form a bond with an sp2 hybrid orbital. Acetophenone can undergo carbonyl addition reaction, α-active hydrogen reaction, and electrophilic substitution reaction on the benzene ring, mainly generating meta-position products.

Acetophenone can be prepared by reacting benzene with acetyl chloride, acetic anhydride or acetic acid under the catalysis of aluminum chloride. In addition, acetophenone is a by-product when ethylbenzene is catalytically oxidized to styrene. Acetophenone is mainly used as a raw material for pharmaceutical and other organic synthesis, and is also used to prepare spices. It is used to make soaps and cigarettes. It can also be used as a solvent for cellulose ethers, cellulose esters and resins, as well as a plasticizer for plastics. It has a hypnotic effect. Nowadays, acetophenone is mostly obtained as a byproduct of phenol and acetone oxidation of cumene. It can also be obtained by acetylation of benzene with acetyl chloride.
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  • 98-86-2

Acetophenone Basic information
General description Characterization of acetophenone production via acylation reaction of Friedel-Craffs Content Analysis Chemical Properties Uses
Product Name: Acetophenone
CAS: 98-86-2
MF: C8H8O
MW: 120.15
EINECS: 202-708-7
Mol File: 98-86-2.mol
Acetophenone Chemical Properties
Melting point 19-20 °C (lit.)
Boiling point 202 °C (lit.)
density 1.03 g/mL at 25 °C (lit.)
vapor density 4.1 (vs air)
vapor pressure 0.45 mm Hg ( 25 °C)
refractive index n20/D 1.534(lit.)
FEMA 2009 | ACETOPHENONE
Fp 180 °F
storage temp. Store below +30°C.
solubility 6.1g/l
form Liquid
color Clear colorless to light yellow
Relative polarity 4.4
Odor Pungent, floral odor
Odor Type floral
biological source synthetic
explosive limit 1.4-5.2%(V)
Water Solubility 5.5 g/L (20 ºC)
Merck 14,73
JECFA Number 806
BRN 605842
Exposure limits No exposure limits are set. The health hazard from exposure to this compound should be low, due to its low vapor pressure and low toxicity.
Dielectric constant 17.4(25℃)
Stability: Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Combustible.
InChIKey KWOLFJPFCHCOCG-UHFFFAOYSA-N
LogP 1.65 at 20℃
Surface tension 39.54 mN/m at 283.15K
CAS DataBase Reference 98-86-2(CAS DataBase Reference)
NIST Chemistry Reference Acetophenone(98-86-2)
EPA Substance Registry System Acetophenone (98-86-2)


TEST RESULT

TEST ITEM

LIMIT

TEST RESULT

Appearance

Colorless transparent liquid

Conform

(HPLC) %

Assay (HPLC) %

≥99.0

99.3

Water %

≤0.1

0.02

Boiling Point ℃

195~230

202

Conclusion:


Passes Test


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