Acetophenone

Basic Information

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CAS Number

98-86-2

Molecular Formula

C8H8O

Molecular Weight

120.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

19-20 °C

Boiling Point

202 °C

Density

1.03 g/mL at 25 °C

Water Solubility

5.5 g/L (20 ºC)

Solubility

6.1g/l

Refractive Index

n20/D 1.534(lit.)

Vapor Pressure

0.45 mmHg ( 25 °C)<br />1 mmHg ( 15 °C)

Vapor Density

4.1 (Air = 1)

Odor

Sweet pungent odor

SMILES

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CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

InChIKey

KWOLFJPFCHCOCG-UHFFFAOYSA-N

LogP

1.8892

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

101

Safety Information

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GHS Hazard Pictograms

H302

H319

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Combustible.

Sensitiveness

sensitive to moisture

Explosive Limit

1.4-5.2%(V)

Toxicity

LD50 orally in rats: 0.90 g/kg (Smyth, Carpenter)

Synonyms & References

English

DTXCID501828
MFCD00008724
Benzoyl methide
AKOS000119011
FT-0628908
Acetophenone, ReagentPlus(R), 99%
A0061
RCRA waste number U004
FT-0636694
Acetyl-Benzene
A854783
Ethanone,1-phenyl
NCGC00259971-01
NSC7635
HY-Y0989
Acetofenon [Czech]
USAF EK-496
CCRIS 1341
SCHEMBL8170205
Acetophenone, >=98%, FG
CAS-98-86-2
98-86-2
J-519533
Acetophenone, natural, 98%, FG
1-phenylethan-1-one
Tox21_202422
NSC-7635
MFCD00064447
NCGC00248000-01
Methyl phenyl ketone
Benzene, acetyl-

MDL Number

MFCD00008724

Customs Code

2914391000

FAQ

What is Acetophenone (CAS: 98-86-2)?

Acetophenone is an aromatic ketone with the chemical formula C8H8O. It is a colorless liquid with a sweet, pleasant odor. Commonly used in organic synthesis, it is known for its solubility in organic solvents and low solubility in water. Acetophenone has a boiling point of 202°C and is stable under normal conditions. Its CAS number is 98-86-2, making it a well-documented compound in chemical databases.

What are the main uses of Acetophenone (CAS: 98-86-2)?

Acetophenone is widely used in pharmaceuticals as a precursor for various drugs. It finds applications in the fragrance and flavor industry due to its pleasant aroma. Additionally, it serves as a solvent in research and industrial settings. Its versatility makes it essential in the synthesis of organic compounds, including pharmaceutical intermediates and perfumes. With CAS number 98-86-2, it is a key compound in multiple fields.

Is Acetophenone (CAS: 98-86-2) safe?

Acetophenone is generally considered safe when handled properly. It has low toxicity but may cause skin and eye irritation upon exposure. Inhalation or ingestion should be avoided. Safety standards recommend using personal protective equipment such as gloves and goggles. Proper ventilation is essential during handling. Its CAS number is 98-86-2, and it is classified as a hazardous substance under certain regulations.

How should Acetophenone (CAS: 98-86-2) be stored?

Acetophenone should be stored in a cool, dry, and well-ventilated area, away from heat and direct sunlight. It is best kept in tightly sealed containers to prevent evaporation and contamination. Storage at temperatures below 25°C is recommended for stability. Avoid exposure to moisture and incompatible substances. Its CAS number is 98-86-2, and storage conditions are crucial for maintaining its chemical integrity.