3-Methyl-2-cyclopenten-1-one

Basic Information

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CAS Number

2758-18-1

Molecular Formula

C6H8O

Molecular Weight

96.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

3-5 °C

Boiling Point

74 °C/15 mmHg

Water Solubility

miscible

Refractive Index

n20/D 1.488(lit.)

SMILES

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CC1=CC(=O)CC1

InChI

InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3

InChIKey

CHCCBPDEADMNCI-UHFFFAOYSA-N

LogP

1.2956

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

122

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3-Methyl-2-cyclopenten-1-one
-1-Methyl-1-cyclopenten-3-one
3-methyl-2-cyclopenten-1-on
3-Methyl-cyclopent-2-enone
3-methylcyclopent-2-enone
Methylcyclopentenone
3-METHYL-2-CYCLOPENTENE-1-ONE
3-METHYL-2-CYCLOPENTENONE
3-methylcyclopent-2-en-1-one
1-Methyl-1-cyclopenten-3-one
2-Cyclopenten-1-one,3-methyl
3-Methyl-2-cyclopenten-1-one,stabilized
3-methylcyclopenten-2-one
3-methyl-cyclopentenone
2-Cyclopenten-1-one, 3-methyl-
CHCCBPDEADMNCI-UHFFFAOYSA-N
6V7RSW7273
FEMA No. 3435
3-methylcyclopentenone
KSC490C9N
3-methyl-2cyclopenten-1-one
3-methyl-1-cyclopent-2-enone
3-methyl-cyclopent-2-en-1-one
FEMA 34
3-Methyl-2-cyclopentenone

MDL Number

MFCD00001403

Customs Code

29142900

FAQ

What are the physical and chemical properties of 3-Methyl-2-cyclopenten-1-one (CAS: 2758-18-1)?

3-Methyl-2-cyclopenten-1-one (CAS: 2758-18-1) is a colorless liquid with a fruity odor. It has a molecular weight of approximately 110.19 g/mol. The compound is soluble in water and ethanol. Chemically, it is moderately reactive with oxidizing agents and can undergo various organic reactions such as addition and condensation reactions.

How is 3-Methyl-2-cyclopenten-1-one (CAS: 2758-18-1) typically synthesized?

3-Methyl-2-cyclopenten-1-one is commonly synthesized via the Wittig reaction or by the Claisen condensation of 3-methylcyclopent-2-en-1-one. The Wittig reaction involves the use of triphenylphosphine and methyl methylphosphonate. The Claisen condensation typically requires a base like sodium hydroxide and heating to achieve high yield.

What industries use 3-Methyl-2-cyclopenten-1-one (CAS: 2758-18-1)?

3-Methyl-2-cyclopenten-1-one is used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer for producing various polymers. Additionally, it is utilized in the fragrance and flavor industry due to its fruity aroma. In electronics, it is used in the production of semiconductors and sensors.

What precautions should be taken when handling 3-Methyl-2-cyclopenten-1-one (CAS: 2758-18-1)?

When handling 3-Methyl-2-cyclopenten-1-one (CAS: 2758-18-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation. In case of a spill, neutralize with sodium bicarbonate and dispose of according to local regulations. Always refer to the safety data sheet (SDS) for detailed information on handling and storage.