Octahydro-2H-chromen-2-one

Basic Information

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CAS Number

4430-31-3

Molecular Formula

C9H14O2

Molecular Weight

154.21 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

Boiling Point

145°C at 16 mmHg

Flash Point

>230 °F

Refractive Index

n20/D 1.492(lit.)

SMILES

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O=C1CCC2CCCCC2O1

InChI

InChI=1S/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2

InChIKey

MSFLYJIWLHSQLG-UHFFFAOYSA-N

LogP

1.8821999999999999

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

165

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

Octahydrocoumarin
Octahydro-2H-1-benzopyran-2-one
3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
1-oxadecal-2-one
2H-1-Benzopyran-2-one,octahydro
Bicyclononalactone
COUMARIN,OCTAHYDRO
Cyclohexyl lactone
EINECS 224-623-4
FEMA No. 3791
hexahydrocoumarin
Octahydro-1-benzopyran-2-one
octahydro-2H-chromen-2-one
octahydrochromen-2-one
octahydro-coumari
octahydro-2h-1-benzopyran-2-on
Cyclohexyllactone
2H-1-Benzopyran-2-one, octahydro-
COUMARIN, OCTAHYDRO-
MSFLYJIWLHSQLG-UHFFFAOYSA-N
perhydrocoumarin
octahydrocoumarine
octahydro-coumarin
Octahydrocoumarin, 8CI
Octahydro-2H-chromen-2-one #

MDL Number

MFCD00221714

FAQ

What are the physical and chemical properties of Octahydro-2H-chromen-2-one (CAS: 4430-31-3)?

Octahydro-2H-chromen-2-one (CAS: 4430-31-3) is a crystalline compound with a molecular weight of approximately 138.14 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. This compound exhibits typical properties of a chromone derivative, including moderate reactivity towards nucleophiles and electrophiles. It is stable under normal conditions but should be stored in a cool, dry place to avoid degradation.

How is Octahydro-2H-chromen-2-one (CAS: 4430-31-3) typically synthesized?

Octahydro-2H-chromen-2-one (CAS: 4430-31-3) can be synthesized through several methods, including the condensation of an aldehyde and a ketone or via the reduction of chromone. Commonly, the Claisen-Schmidt condensation is used, where the reaction is catalyzed by strong acids like phosphoric acid. This method provides good yield and selectivity, making it a preferred route for industrial synthesis.

What industries use Octahydro-2H-chromen-2-one (CAS: 4430-31-3)?

Octahydro-2H-chromen-2-one (CAS: 4430-31-3) finds applications in various industries. It is primarily used in the pharmaceutical sector as an intermediate in the synthesis of drugs. Additionally, it is utilized in the polymer industry for the development of new materials. The compound also plays a role in the production of sensors and semiconductors, contributing to the advancement in electronics and optoelectronics.

What precautions should be taken when handling Octahydro-2H-chromen-2-one (CAS: 4430-31-3)?

When handling Octahydro-2H-chromen-2-one (CAS: 4430-31-3), it is crucial to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate materials, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed information and guidance on proper handling and disposal.