2-Methyl-1,3-cyclopentanedione

Basic Information

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CAS Number

765-69-5

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

210.0 to 217.0 deg-C

Boiling Point

218°C at 760 mmHg

Density

1.0795 (rough estimate)

Flash Point

84.4℃

Solubility

Solubility in hot Methanol (almost transparency).

Refractive Index

1.4550 (estimate)

SMILES

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CC1C(=O)CCC1=O

InChI

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

InChIKey

HXZILEQYFQYQCE-UHFFFAOYSA-N

LogP

0.5545

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

122

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

EINECS 212-153-2
2-methyl-1,3-cyclopentandione
M0901
Z104503660
CS-W013660
BDBM22768
AC-907/25014141
2-METHYL-1,3-CYCLOPENTANEDIONE
W-104357
NSC-54458
FT-0613037
2-Methyl-1,3-cyclopentadione
AM20100124
SY015623
2-Methyl-cyclopentane-1,3-dione
HY-W012944
EC 212-153-2
CHEMBL363186
NSC54458
C9LG5VP01C
EN300-21600
SCHEMBL661313
NS00009505
PS-3179
2-Methyl cyclopentane-1,3-dione
NSC 54458
MFCD00001406
Q27896539
1,3-Cyclopentanedione, 2-methyl-
ghl.PD_Mitscher_leg0.841
UNII-C9LG5VP01C

MDL Number

MFCD00001406

Customs Code

29142900

FAQ

What is 2-Methyl-1,3-cyclopentanedione (CAS: 765-69-5)?

2-Methyl-1,3-cyclopentanedione is an organic compound with the chemical formula C6H8O2. It is a cyclic diketone characterized by two ketone groups on adjacent carbon atoms in a five-membered ring, with a methyl group attached to one of the ring carbons. This compound is commonly used as an intermediate in organic synthesis due to its reactivity and structural versatility.

What are the main uses of 2-Methyl-1,3-cyclopentanedione (CAS: 765-69-5)?

2-Methyl-1,3-cyclopentanedione is primarily used in pharmaceutical research as a building block for the synthesis of various bioactive compounds. It also finds applications in the chemical industry for producing dyes, perfumes, and other specialty chemicals. Additionally, it is used in research settings for studying reaction mechanisms and as a precursor in the development of agrochemicals and materials science products.

Is 2-Methyl-1,3-cyclopentanedione (CAS: 765-69-5) safe?

2-Methyl-1,3-cyclopentanedione is considered hazardous due to its potential to cause skin and eye irritation. It should be handled with care, using appropriate personal protective equipment (PPE) such as gloves and goggles. Safety standards emphasize proper ventilation and avoidance of inhalation. It is not classified as carcinogenic but requires adherence to standard chemical safety protocols for safe use.

How should 2-Methyl-1,3-cyclopentanedione (CAS: 765-69-5) be stored?

2-Methyl-1,3-cyclopentanedione should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is sensitive to moisture and light, so it should be kept in a tightly sealed container. Storage in a well-ventilated area is recommended to prevent the buildup of harmful vapors and ensure long-term stability.