2,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl acetate

Basic Information

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CAS Number

4166-20-5

Molecular Formula

C8H10O4

Molecular Weight

170.16 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

Boiling Point

243°C

Refractive Index

n20/D 1.477(lit.)

SMILES

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CC(OC1=C(C)OC(C)C1=O)=O

InChI

InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3

InChIKey

VPKIUOQJQJVLRW-UHFFFAOYSA-N

LogP

0.7687999999999999

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

264

Safety Information

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GHS Hazard Pictograms

H317

H411

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

2,5-Dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetate
4-Acetoxy-2,5-dimethyl-3(2H)-furanone
Furaneol acetate
4,5-Dihydro-2,5-dimethyl-4-oxofuran-3-yl Acetate
4-Acetoxy-2,5-dimethyl-2H-furan-3-on
Acetic Acid 4,5-Dihydro-2,5-dimethyl-4-oxofuran-3-yl Ester
ACETOXY DIMETHYL FURANONE
caramel acetate
FEMA 3797
Fraision acetata
FRAISION ACETATE
Strawberry acetate
strawberry furanone acetate
4-Acetoxy-2,5-dimethyl-3(2H)furanone
2,5-Dimethyl-4-oxo-4,5-dihydrofur-3-yl acetate
3(2H)-Furanone, 4-(acetyloxy)-2,5-dimethyl-
4-Acetoxy-2.5-dimethyl-3(2H)-furanone
4-(Acetyloxy)-2,5-dimethyl-3(2H)-furanone
4-Hydroxy-2,5-dimethyl-3(2H)-furanone acetate
3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-, acetate
AK109081
CARAMELACETAT
PubChem6958
(2,5-dimethyl-4-oxofuran-3-yl) acetate
4-Acetoxy-2,5-dimethylfuran-3(2H)-one
s
Furaneol Acetate
Caramel acetate

MDL Number

MFCD00799462

Customs Code

2932190090

FAQ

What are the physical and chemical properties of 2,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl acetate (CAS: 4166-20-5)?

2,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl acetate (CAS: 4166-20-5) is a crystalline solid with a molecular weight of approximately 194.24 g/mol. It has a high solubility in organic solvents like acetone and toluene, but is poorly soluble in water. The compound is moderately reactive with strong bases and is susceptible to hydrolysis. It is insoluble in water, with a solubility of less than 1 g/L at 25°C.

How is 2,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl acetate (CAS: 4166-20-5) typically synthesized?

2,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl acetate (CAS: 4166-20-5) can be synthesized via the condensation of 2,5-dimethyl-4-oxofurancarboxylic acid with acetic anhydride. The reaction is typically carried out in the presence of a catalytic amount of pyridine to improve the yield. The product is obtained with good selectivity and high yield, making it a suitable method for large-scale production.

What industries use 2,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl acetate (CAS: 4166-20-5)?

2,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl acetate (CAS: 4166-20-5) is primarily used in the pharmaceutical and polymer industries. It serves as a valuable intermediate in the synthesis of various pharmaceuticals and drugs. In the polymer industry, it can be used as a monomer for the production of high-performance polymers with unique properties. It also finds applications in the development of sensors and semiconductors due to its chemical stability and reactivity.

What precautions should be taken when handling 2,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl acetate (CAS: 4166-20-5)?

When handling 2,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl acetate (CAS: 4166-20-5), it is essential to follow safety guidelines to avoid potential hazards. Wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation of vapors. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of a spill, use appropriate spill response materials and dispose of them according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.