2,5-Hexanedione

Basic Information

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CAS Number

110-13-4

Molecular Formula

C6H10O2

Molecular Weight

114.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

−6-−5 °C

Boiling Point

191 °C

Water Solubility

miscible

Solubility

alcohol: miscible

Refractive Index

n20/D 1.425(lit.)

Vapor Pressure

0.43 mmHg ( 20 °C)

SMILES

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CC(=O)CCC(=O)C

InChI

InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3

InChIKey

OJVAMHKKJGICOG-UHFFFAOYSA-N

LogP

0.9446

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

91.1

Safety Information

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GHS Hazard Pictograms

H315

H319

H373

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Stability

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

Sensitiveness

Light-sensitive

Explosive Limit

1.5%(V)

Toxicity

LD50 orally in rats: 2.7 g/kg (Smyth, Carpenter)

Synonyms & References

English

Acetonylacetone
2,5-Hexanedione
Hexan-2,5-Dion
2,5-Hexadione
Hexane-2,5-dione
HEXANEDIONE, 2,5-(AS)
1,2-Diacetylethane
1,2-Diacetylethane
2,5-Diketohexane
α,β-Diacetylethane
2,5-Dioxohexane
Diacetonyl
NSC 7621
a,b-Diacetylethane
acan
2,5-dione
hexane-2,5-
Hexanedione
2,5-HEXANDIONE
Acetonyl acetone
Acetone, acetonyl-
alpha,beta-Diacetylethane
acetonylaceton
.alpha.,.beta.-Diacetylethane
CH3COCH2CH2COCH3
MLS001065580
OJVAMHKKJGICOG-UHFFFAOYSA-N
Acetonylacetone (2,5-Hexandione)
C0Z8884J3P
Acetonylacetone, 97%
SMR000568468

MDL Number

MFCD00008792

Customs Code

2942000000

FAQ

What is 2,5-Hexanedione (CAS: 110-13-4)?

2,5-Hexanedione is an organic compound with the chemical formula C6H10O2. It is a cyclic diketone, known for its ability to form stable enolates and its use in various chemical syntheses. The compound has a molecular weight of 102.13 g/mol and is typically a colorless liquid with a characteristic odor. It is soluble in organic solvents and is commonly used in research and industrial applications.

What are the main uses of 2,5-Hexanedione (CAS: 110-13-4)?

2,5-Hexanedione finds applications in pharmaceuticals as a building block for drug synthesis, in the chemical industry for the production of polymers and solvents, and in research for organic reactions and material development. It is also used in the fragrance industry and as a reagent in analytical chemistry for its reactivity and structural versatility.

Is 2,5-Hexanedione (CAS: 110-13-4) safe?

2,5-Hexanedione is considered hazardous and should be handled with care. It can cause skin and eye irritation, and inhalation may lead to respiratory issues. Safety measures include wearing protective gloves, goggles, and a lab coat, and ensuring proper ventilation. It is important to follow OSHA and EPA guidelines when working with this compound to minimize exposure risks.

How should 2,5-Hexanedione (CAS: 110-13-4) be stored?

2,5-Hexanedione should be stored in a cool, dry, and well-ventilated area, away from light and incompatible materials. It is best kept in a sealed container at temperatures below 25°C to maintain stability. Due to its reactivity, it should be stored in a fume hood or under an inert atmosphere to prevent degradation and ensure safety.