3-Methyl-2-butanone

Basic Information

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CAS Number

563-80-4

Molecular Formula

C5H10O

Molecular Weight

86.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

−92 °C

Boiling Point

93°C

Water Solubility

6 g/L (20 ºC)

Solubility

water: soluble8.21g/L at 20°C

Refractive Index

n20/D 1.388(lit.)

Vapor Pressure

67.21 mm Hg (USCG, 1999)

Vapor Density

Relative vapor density (air = 1): 3.0

Odor

The odor threshold lies between 1.9 and 3.1 ppm (6.8 and 11 mg/cu m). Acetone-like odor.

SMILES

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CC(C)C(=O)C

InChI

InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3

InChIKey

SYBYTAAJFKOIEJ-UHFFFAOYSA-N

LogP

1.2314

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

Safety Information

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GHS Hazard Pictograms

H225

H319

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Explosive Limit

1.5-9%(V)

Toxicity

LD50 orally in male mice: 29.86 mmol/kg (Tanii)

Synonyms & References

English

Methyl Isopropyl Ketone
3-METHYL-2-BUTANONE
3-Methylbutanone
ISOPROPYL METHYL KETONE
MIPK
2-Acetylpropane
2-Butanone,3-methyl-
2-Methylbutan-3-one
3-Methylbutan-2-on
3-methyl-butan-2-one
3-Methylbutan-2-one
Isobutyl-1-methylketone
iso-C3H7COCH3
iso-Propylmethyldetone
Ketone, isopropyl methyl
Methyl butanone-2
Methylbutanone
methylisopropylcetone
Methylisopropylketon
1,1-Dimethyl acetone
2-Acetopropane
2-Methyl-3-butanone
3-Ketoisopentane
i-propyl methyl ketone
methyl i-propyl ketone
Methyl-2-butanone
Methyl-isopropyl ketone

MDL Number

MFCD00008919

Customs Code

2914190090

FAQ

What are the physical and chemical properties of 3-Methyl-2-butanone (CAS: 563-80-4)?

3-Methyl-2-butanone (CAS: 563-80-4) is a colorless, slightly sweet-smelling liquid with a molecular weight of 98.13 g/mol. It has a boiling point of 79.3°C and a melting point of -88°C. The compound is moderately soluble in water but is highly soluble in organic solvents. Chemically, it is reactive and can undergo dehydration, oxidation, and alkyl halide formation reactions.

How is 3-Methyl-2-butanone (CAS: 563-80-4) typically synthesized?

3-Methyl-2-butanone (CAS: 563-80-4) is commonly synthesized via the dehydration of 3-methyl-2-butanol using concentrated sulfuric acid as a catalyst. The reaction is exothermic and typically yields 90-95% of the product. Other methods include the reaction of methyl acetate with propionaldehyde or the oxidation of 2-methyl-1-butanol.

What industries use 3-Methyl-2-butanone (CAS: 563-80-4)?

3-Methyl-2-butanone (CAS: 563-80-4) is widely used in various industries. It serves as a raw material in the production of pharmaceuticals, particularly as a precursor for ibuprofen. It is also used in the manufacturing of polymers, as an intermediate in the synthesis of fragrances, and in the production of certain chemical sensors and semiconductors.

What precautions should be taken when handling 3-Methyl-2-butanone (CAS: 563-80-4)?

When handling 3-Methyl-2-butanone (CAS: 563-80-4), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a well-ventilated area and used in a fume hood to minimize inhalation risk. In case of a spill, the area should be ventilated and the spill cleaned up using absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.