3-Pentanone | CAS No. 96-22-0

3-Pentanone

Basic Information

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CAS Number

96-22-0

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

−42 °C

Boiling Point

102°C

Density

0.813 g/mL at 25 °C

Water Solubility

50 g/L (20 ºC)

Solubility

water: slightly soluble

Refractive Index

n20/D 1.392(lit.)

Vapor Pressure

20 mmHg ( 28 °C)<br />28.1 mmHg ( 20 °C)

Vapor Density

3.0 (Air = 1)

Odor

Acetone odor

SMILES

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CCC(=O)CC

InChI

InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

InChIKey

FDPIMTJIUBPUKL-UHFFFAOYSA-N

LogP

1.3755

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

41.9

Safety Information

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GHS Hazard Pictograms

H225

H335

H336

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H336 May cause drowsiness or dizziness
Specific target organ toxicity, single exposure; Narcotic effects

Hazard Class

Class 3 Class 3

Stability

Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, reducing agents, strong oxidizing agents.

Explosive Limit

1.6-7.7%(V)

Toxicity

LD50 orally in rats: 2.1 g/kg, Smyth et al., Arch. Ind. Hyg. Occup. Med. 10, 61 (1954)

Synonyms & References

English

3-Pentanone
Diethyl ketone
(C2H5)2CO
1,3-Dimethylacetone
3-Oxopentane
3-Pentanon
DEK
Diathylketon
Diethylcetone
diethylcetone(french)
3-Pentanoneneat
2-Butanol,4,4-dimethoxy-2-methyl
3-hydroxy-3-methylbutana
3-hydroxy-isovaleraldehyd dimethyl acetale
3-hydroxy-isovaleraldehyde dimethyl acetal
3-PENTANOL
4,4-Dimethoxy-2-methyl-2-butanol
DIETHYL KETONE (3-PENTANONE)
DIETHYL KETONE FOR SYNTHESIS
dimethyl acetal of 3-hydroxyisovaleric aldehyde
dimethylacetone
ethyl ketone
PENTANONE (3-) (AKA DEK)
Propione
Dimethylacetone
Ethyl ketone
Metacetone
Methacetone
NSC 8653
ZED 2EK
Diethyl Ketone

MDL Number

MFCD00009320

Customs Code

2914190090

FAQ

What are the physical and chemical properties of 3-Pentanone (CAS: 96-22-0)?

3-Pentanone (CAS: 96-22-0) is a colorless liquid with a slightly fruity odor. It has a molecular weight of 86.11 g/mol and a density of 0.82 g/cm³. Its melting point is -88°C and boiling point is 144°C. It is moderately soluble in water but miscible with many organic solvents. It is reactive towards bases and oxidizing agents.

How is 3-Pentanone (CAS: 96-22-0) typically synthesized?

3-Pentanone can be synthesized via the oxidation of 2-Pentanol with potassium permanganate or by reacting acetylacetone with pentan-2-one in the presence of an acid catalyst. It is also produced as a by-product in the condensation of acetylacetone with aldehydes or ketones.

What industries use 3-Pentanone (CAS: 96-22-0)?

3-Pentanone (CAS: 96-22-0) is widely used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the production of resins, as a solvent in the fragrance and flavor industry, and in the analytical chemistry sector for use as a reagent in various chemical analyses.

What precautions should be taken when handling 3-Pentanone (CAS: 96-22-0)?

When handling 3-Pentanone (CAS: 96-22-0), proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a well-ventilated area, and the use of a fume hood is recommended during handling. Spills should be handled with appropriate absorbent materials and the Safety Data Sheet (SDS) should be consulted for detailed information on spill cleanup procedures.