2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one

Basic Information

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CAS Number

87769-39-9

Molecular Formula

C8H12O3

Molecular Weight

156.18 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

72°C/3mmHg

Density

1,07 g/cm3

Flash Point

92.7°C

Refractive Index

1.4630 to 1.4660

SMILES

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CC1=C(OC(OC1=O)(C)C)C

InChI

InChI=1S/C8H12O3/c1-5-6(2)10-8(3,4)11-7(5)9/h1-4H3

InChIKey

NZEPEQVPVAXLSY-UHFFFAOYSA-N

LogP

1.5897999999999999

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

226

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

4H-1,3-Dioxin-4-one,2,2,5,6-tetramethyl-
2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one
2,2,5,6-tetramethyl-1,3-dioxin-4-one
2,2,5,6-tetramethyl-2H,4H-1,3-dioxin-4-one
5,6-dimethyl dioxinone
NZEPEQVPVAXLSY-UHFFFAOYSA-N
FCH1117368
2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one (ACI)
2,2,5,6-Tetramethyl-2H,4H-1,3-dioxin-4-one
tetramethyl-2,4-dihydro-1,3-dioxin-4-one
AKOS025295863
T73024
TETRAMETHYL-1,3-DIOXIN-4-ONE
CS-0205341
87769-39-9
DTXSID90336981
T1222
SCHEMBL10572506
MFCD00060139

MDL Number

MFCD00060139

Customs Code

2932999099

FAQ

What regulatory guidelines apply to 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one (CAS: 87769-39-9)?

The compound 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one (CAS: 87769-39-9) falls under the purview of several regulatory guidelines. It is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a skin and eye irritant. Under REACH regulations in the EU, it is subject to registration requirements for substances above one tonne per year. In the USA, the Environmental Protection Agency (EPA) and Food and Drug Administration (FDA) may have specific regulations for its handling and disposal. Compliance with local and national regulations is essential for safe handling and use.

Are there alternatives to 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one (CAS: 87769-39-9) in synthesis?

While 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one (CAS: 87769-39-9) is a valuable intermediate in certain organic syntheses, alternatives such as 2,2,5,6-tetramethyl-1,3-dioxane-4-one or related dioxin derivatives can be used depending on the specific reaction requirements. These alternatives offer similar functional groups but may have different reactivity profiles, making them suitable for specific synthetic pathways.

What is the market or research trend for 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one (CAS: 87769-39-9)?

The market for 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one (CAS: 87769-39-9) is largely driven by its use in the production of various organic compounds, particularly in the pharmaceutical and polymer industries. Research trends focus on exploring its reactivity in new synthetic routes, as well as developing safer alternatives. Recent studies also investigate its potential applications in medicinal chemistry and as a precursor in polymer synthesis.

How should waste containing 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one (CAS: 87769-39-9) be handled?

Waste containing 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one (CAS: 87769-39-9) should be handled according to local and national regulations. It is advisable to collect waste in appropriate containers and ensure it is properly labeled. For disposal, incineration is a common method, but professional waste disposal services should be utilized to minimize environmental impact. Environmental protection measures include proper containment to prevent leaching into soil or water systems and the use of protective equipment during handling.