3-Methyl-1,2-cyclopentanedione

Basic Information

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CAS Number

765-70-8

Molecular Formula

C6H8O2

Molecular Weight

112.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

104.0 to 108.0 deg-C

Boiling Point

178.7°C at 760 mmHg

Density

1.0795 (rough estimate)

Flash Point

100 ºC

Refractive Index

1.4550 (estimate)

SMILES

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O=C1C(C(C)CC1)=O

InChI

InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3

InChIKey

OACYKCIZDVVNJL-UHFFFAOYSA-N

LogP

0.5545

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

138

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

3-Methylcyclopentane-1,2-dione
2-Hydroxy-3-methyl-2-cyclopenten-1-one
3-Methyl-1,2-cyclopentanedione
3-Methyl-1.2-cyclopentanedione
Methylcyclopentenolone
1,2-CYCLOPENTANEDIONE, 3-METHYL-
Methylcyclopentenolone (diketo form)
FEMA No. 2700
Methylcyclopentenolone (natural)
kentonarome
OACYKCIZDVVNJL-UHFFFAOYSA-N
3-Methyl-1,2-cyclopentanedione (Maple lactone)
Maple Lactone(MCP)
methyl-cyclopentenolone
DSSTox_CID_27709
DSSTox_RID_82519
DS

MDL Number

MFCD00001417

Customs Code

29142900

FAQ

What regulatory guidelines apply to 3-Methyl-1,2-cyclopentanedione (CAS: 765-70-8)?

3-Methyl-1,2-cyclopentanedione (CAS: 765-70-8) must comply with global regulations such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in Europe, and FDA/EPA guidelines in the United States. It is classified as flammable and requires proper labeling and storage to prevent hazards during transportation and use.

Are there alternatives to 3-Methyl-1,2-cyclopentanedione (CAS: 765-70-8) in synthesis?

Several alternatives can be used in synthetic processes, including 2-Methyl-1,3-cyclopentanedione and 1,3,4-Cyclohexanedione. These compounds offer similar functionalities and can be used as substitutes depending on the specific reaction conditions and desired product properties.

What is the market or research trend for 3-Methyl-1,2-cyclopentanedione (CAS: 765-70-8)?

The market for 3-Methyl-1,2-cyclopentanedione (CAS: 765-70-8) is growing due to its applications in pharmaceuticals, fragrances, and polymer synthesis. Research trends indicate increasing interest in its use as a building block for complex organic molecules and in developing sustainable chemistry processes.

How should waste containing 3-Methyl-1,2-cyclopentanedione (CAS: 765-70-8) be handled?

Waste containing 3-Methyl-1,2-cyclopentanedione (CAS: 765-70-8) should be collected in sealed containers, labeled with appropriate hazard warnings, and disposed of in accordance with local regulations. Incineration or professional waste disposal services are recommended for proper destruction and environmental protection.