1,3-Cyclopentanedione

Basic Information

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CAS Number

3859-41-4

Molecular Formula

C5H6O2

Molecular Weight

98.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

149-151 °C

Boiling Point

221.8°C at 760 mmHg

Water Solubility

Very soluble in water.

Flash Point

80.1℃

Refractive Index

1.4400 (estimate)

SMILES

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C1CC(=O)CC1=O

InChI

InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2

InChIKey

LOGSONSNCYTHPS-UHFFFAOYSA-N

LogP

0.3085

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

101

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

1,3-cyclopentane dione
AM20100026
1,3 cyclopentadione
CS-D0815
MFCD00001405
1,3-cyclopentandione
InChI=1/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
LOGSONSNCYTHPS-UHFFFAOYSA-
Q27104474
A6527
EINECS 223-372-8
SY003377
1,3cyclopentadione
W-111717
cyclopentan-1,3-dione
AKOS000278923
NSC 364015
Cyclopentane-1,3-dione
STR07692
AC-1796
NSC-364015
F0001-1098
CHEMBL224233
CHEBI:41456
cyclopentane-1,3-quinone
UNII-98107S5K06
CEJ
AB01329887-02
NCGC00336891-01
PB47422
HY-75355

MDL Number

MFCD00001405

Customs Code

29142900

FAQ

What are the physical and chemical properties of 1,3-Cyclopentanedione (CAS: 3859-41-4)?

1,3-Cyclopentanedione (CAS: 3859-41-4) is a colorless crystalline solid with a molecular weight of 108.14 g/mol. It has a solubility of 81 g/L in water and is slightly soluble in ethanol. The compound is known for its ketone functionality, which makes it reactive in various organic reactions such as esterification and condensation. It has a pleasant fruity odor and is used in the production of flavor compounds and as a precursor in organic synthesis.

How is 1,3-Cyclopentanedione (CAS: 3859-41-4) typically synthesized?

1,3-Cyclopentanedione (CAS: 3859-41-4) is typically synthesized through the dehydration of 1,3-cyclopentanedimethanol using a dehydrating agent like concentrated sulfuric acid. Another method involves the oxidation of 1,3-cyclopentanediol with potassium permanganate or chromic acid. The reaction yields 90-95% purity with good selectivity and yield.

What industries use 1,3-Cyclopentanedione (CAS: 3859-41-4)?

1,3-Cyclopentanedione (CAS: 3859-41-4) is widely used in the pharmaceutical industry for the synthesis of certain drugs, in polymer production as a monomer, in the production of flavor and fragrance compounds, and in the development of sensors. Its versatile nature makes it applicable in various sectors including chemical, pharmaceutical, and sensor technologies.

What precautions should be taken when handling 1,3-Cyclopentanedione (CAS: 3859-41-4)?

When handling 1,3-Cyclopentanedione (CAS: 3859-41-4), it is crucial to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a cool, dry place away from strong acids and bases. In case of spills, use appropriate spill kits and ensure proper disposal as per local regulations. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.