3-Acetyldihydro-2(3H)-furanone

Basic Information

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CAS Number

517-23-7

Molecular Formula

C6H8O3

Molecular Weight

128.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

BOLING

Boiling Point

107-108 °C/5 mmHg

Water Solubility

310 g/L (20 ºC)

Solubility

200g/l

Refractive Index

n20/D 1.459(lit.)

Vapor Pressure

0.0±0.5 mmHg at 25°C

SMILES

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CC(=O)C1CCOC1=O

InChI

InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3

InChIKey

OMQHDIHZSDEIFH-UHFFFAOYSA-N

LogP

0.13850000000000007

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

150

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Stability

Stable. Incompatible with strong oxidizing agents, strong bases.

Synonyms & References

English

2-Acetylbutyrolactone-13C4
NSC-2019
Tox21_113848
3-Acetyl-2(3H)-4,5-dihydrofuranone
alpha-(2-Hydroxyethyl)acetoacetic acid gamma-lactone
2-acetyl butyrolactone
DTXSID6044436
517-23-7
NS00003060
A-Acetylbutyrolactone
3-acetyl-4,5-dihydro-2(3H) furanone
3-acetyldihydrofuran-2(3H)-one
NCGC00255829-01
alpha-Acetyl-gamma-hydroxybutyric acid gamma-lactone
CHEBI:179633
alpha-Acetobutyrolactone
2-Acetyl-4-hydroxybutyric acid gamma-lactone
Q-200224
2-Oxo-3-acetyltetrahydrofuran
.alpha.-Acetobutyrolactone
CHEMBL3187921
3-Acetyldihydrofuran-2-one
2-Acetylbutyrolactone
2-acetyl gammabutyro lactone
3-Acetyldihydro-2(3H)-furanone #
alpha-acetyl-gamma-butyro lactone
3-Acetyl-dihydro-2(3H)-furanone
NSC2019
MFCD00005394
2-AcetYl-Butyrolactone

MDL Number

MFCD00005394

Customs Code

29322980

FAQ

What is 3-Acetyldihydro-2(3H)-furanone (CAS: 517-23-7)?

3-Acetyldihydro-2(3H)-furanone (CAS: 517-23-7) is a cyclic organic compound with the molecular formula C5H6O3. It is a colorless liquid, commonly used as a chemical intermediate. The compound exhibits moderate solubility in organic solvents and has a characteristic odor. Its structure includes an acetyl group attached to a dihydrofuranone ring, making it valuable in various chemical applications.

What are the main uses of 3-Acetyldihydro-2(3H)-furanone (CAS: 517-23-7)?

3-Acetyldihydro-2(3H)-furanone (CAS: 517-23-7) is primarily used in pharmaceuticals for synthesizing drugs and active ingredients. It also serves as a flavoring agent in the food industry and is utilized in research for organic synthesis. Additionally, it finds applications in industrial chemical processes and as a building block for more complex molecules.

Is 3-Acetyldihydro-2(3H)-furanone (CAS: 517-23-7) safe?

3-Acetyldihydro-2(3H)-furanone (CAS: 517-23-7) is generally considered safe when handled properly. However, it should be used with caution, as inhalation or skin contact may cause irritation. Safety standards recommend wearing protective gloves, goggles, and ensuring proper ventilation. Always follow OSHA guidelines and material safety data sheets (MSDS) for safe handling.

How should 3-Acetyldihydro-2(3H)-furanone (CAS: 517-23-7) be stored?

3-Acetyldihydro-2(3H)-furanone (CAS: 517-23-7) should be stored in a cool, dry place below 25°C, away from light. Keep it in airtight, sealed containers to prevent moisture absorption. Avoid exposure to air and ensure storage in a well-ventilated area. Check expiration dates and maintain proper labeling for safe handling and stability.