1-(5-Methyl-2-furyl)ethanone

Basic Information

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CAS Number

1193-79-9

Molecular Formula

C7H8O2

Molecular Weight

124.14 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

100-101 °C/25 mmHg

Water Solubility

Slightly soluble in water. Soluble in alcohol.

Refractive Index

n20/D 1.510-1.514<br />n20/D 1.512(lit.)

SMILES

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CC(=O)c1ccc(C)o1

InChI

InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3

InChIKey

KEFJLCGVTHRGAH-UHFFFAOYSA-N

LogP

1.79062

Topological Polar Surface Area

30.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

120

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

1-(5-Methylfuran-2-yl)ethanone
5-Methyl-2-Acetyl Furan
2-Acetyl-5-methylfuran
1-(5-Methyl-2-furyl)ethanone
NSC 80404
1-(5-Methyl-2-furyl)ethan-1-one
2-Acetyl-5-methyl furan

MDL Number

MFCD00003243

Customs Code

2932190090

FAQ

What are the physical and chemical properties of 1-(5-Methyl-2-furyl)ethanone (CAS: 1193-79-9)?

1-(5-Methyl-2-furyl)ethanone (CAS: 1193-79-9) is a colorless liquid with a molecular weight of 120.14 g/mol. It has a density of 1.06 g/cm³ and a boiling point of 147-149°C. The compound is soluble in ethanol and acetone but insoluble in water. It reacts readily with bases and is used in various chemical reactions due to its functional groups.

How is 1-(5-Methyl-2-furyl)ethanone (CAS: 1193-79-9) typically synthesized?

1-(5-Methyl-2-furyl)ethanone (CAS: 1193-79-9) is generally synthesized via the condensation of 5-methyl-2-furyl alcohol with acetaldehyde in the presence of a strong acid catalyst. The reaction yields the target compound with good selectivity and a high yield of up to 90%. Common catalysts include sulfuric acid or hydrochloric acid.

What industries use 1-(5-Methyl-2-furyl)ethanone (CAS: 1193-79-9)?

1-(5-Methyl-2-furyl)ethanone (CAS: 1193-79-9) is primarily used in the pharmaceutical and fine chemical industries. It serves as a precursor for the synthesis of various heterocyclic compounds and functionalized furans, which are important in developing new drugs and materials. Additionally, it is used in the production of pigments, dyes, and semiconductors.

What precautions should be taken when handling 1-(5-Methyl-2-furyl)ethanone (CAS: 1193-79-9)?

When handling 1-(5-Methyl-2-furyl)ethanone (CAS: 1193-79-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Handle in a well-ventilated area or a fume hood due to its reactive nature. Store in a cool, dry place away from direct sunlight. In case of spill, neutralize with a base and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.