2-Oxepanone | CAS No. 502-44-3

2-Oxepanone

Basic Information

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CAS Number

502-44-3

Molecular Formula

C6H10O2

Molecular Weight

114.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

-1°C

Boiling Point

140°C/35mmHg

Water Solubility

>1000 mg/L (20 ºC)

Refractive Index

n20/D 1.463(lit.)

Vapor Pressure

0.01 mmHg ( 20 °C)

SMILES

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O=C1CCCCCO1

InChI

InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2

InChIKey

PAPBSGBWRJIAAV-UHFFFAOYSA-N

LogP

1.1036000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

88.5

Safety Information

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GHS Hazard Pictograms

H315

H318

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Explosive Limit

1.2-9%(V)

Synonyms & References

English

Epsilon-Caprolactone monomer
2-Oxepanone
6-Hexanolactone~2-Oxepanone
epsilon-Caprolactone
hexan-6-olide
6-Hexanolactone
ε-Caprolactone
2-Oxacycloheptanone
ε-Caprolactone
6-Caprolactone monomer
ε-Hexalactone
ε-Hexanolactone
6-己内酯
epsilon-Caprolactone monomer
caprolactone

MDL Number

MFCD00003267

Customs Code

2932209090

FAQ

What is 2-Oxepanone (CAS: 502-44-3)?

2-Oxepanone, with the CAS number 502-44-3, is a cyclic ketone compound consisting of a seven-membered ring with one oxygen atom and one carbonyl group. It is a colorless liquid with a moderate boiling point and is commonly used as an intermediate in organic synthesis. Its molecular formula is C6H10O2, and it exhibits solubility in organic solvents.

What are the main uses of 2-Oxepanone (CAS: 502-44-3)?

2-Oxepanone is widely used in pharmaceutical research as a building block for the synthesis of various drugs. It also finds applications in the fragrance and flavor industry due to its pleasant aroma. In industrial settings, it serves as a solvent and intermediate in polymer and chemical production. Additionally, it is used in research for developing new materials and organic compounds.

Is 2-Oxepanone (CAS: 502-44-3) safe?

2-Oxepanone is generally considered safe when handled properly, but it should be treated with caution. It may cause irritation to the skin, eyes, and respiratory system. Safety standards recommend using personal protective equipment (PPE) such as gloves and goggles. Proper ventilation and adherence to OSHA guidelines are essential to ensure safe handling and minimize exposure risks.

How should 2-Oxepanone (CAS: 502-44-3) be stored?

2-Oxepanone should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container made of glass or stainless steel to prevent contamination. Storage temperature should not exceed 25°C, and it should be kept in a fire-resistant cabinet to maintain stability and safety.