1,3-Dioxan-2-one

Basic Information

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CAS Number

2453-03-4

Molecular Formula

C4H6O3

Molecular Weight

102.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

45.0 to 49.0 deg-C

Boiling Point

135°C/4mmHg

Density

1.2

Flash Point

148.6°C

Refractive Index

1.425

SMILES

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C1COC(=O)OC1

InChI

InChI=1S/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H2

InChIKey

YFHICDDUDORKJB-UHFFFAOYSA-N

LogP

0.5433

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

UNII-4316AQ174Q
Trimethylene Carbonate
1,3-Carbonyldioxypropane
DTXSID20953766
1,3-Dioxan-2-one
4316AQ174Q
1,3-propanediol carbonate
[1,3]dioxan-2-one
Cyclic trimethylene carbonate
AB89903
InChI=1/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H
FT-0688121
AKOS006282041
D3821
F20507
31852-84-3
Q161506
MFCD00010440
m-Dioxan-2-one
SCHEMBL29060
2453-03-4
YFHICDDUDORKJB-UHFFFAOYSA-N
FT-0700801
1,3-Propanediol, cyclic carbonate
CS-0155207
AS-10263
1,3-Propylene carbonate
TRIMETHYLENE CARBONATE
1,3-dioxanone
2-oxo-1,3-dioxane
Polytrimethylene carbonate

MDL Number

MFCD00010440

Customs Code

2932999099

FAQ

What regulatory guidelines apply to 1,3-Dioxan-2-one (CAS: 2453-03-4)?

1,3-Dioxan-2-one (CAS: 2453-03-4) must comply with various regulatory guidelines. Globally Harmonized System (GHS) categorizes it as a Category 2 skin irritant. In the European Union, it is subject to the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation, which requires manufacturers and importers to register and assess the substance's impact on human health and the environment. The Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements for its use in pharmaceutical or chemical products, respectively, including proper labeling and handling procedures.

Are there alternatives to 1,3-Dioxan-2-one (CAS: 2453-03-4) in synthesis?

Yes, several alternatives to 1,3-Dioxan-2-one (CAS: 2453-03-4) exist in synthesis. Common substitutes include tetrahydrofuran (THF) and 1,4-dioxane, which offer similar reactivity profiles for certain reactions. However, due to environmental concerns, there is a growing trend towards using more sustainable solvents like ethylenediamine or propylene carbonate. These alternatives are often chosen for their lower toxicity and better biodegradability.

What is the market or research trend for 1,3-Dioxan-2-one (CAS: 2453-03-4)?

The market for 1,3-Dioxan-2-one (CAS: 2453-03-4) is relatively stable, but there is increasing research interest in its use as a key intermediate in pharmaceutical and fine chemical synthesis. Recent trends highlight a focus on developing greener and more sustainable processes to reduce environmental impact. Researchers are exploring novel methods to minimize the use of 1,3-Dioxan-2-one in favor of less hazardous alternatives, which aligns with broader industry shifts towards eco-friendly practices.

How should waste containing 1,3-Dioxan-2-one (CAS: 2453-03-4) be handled?

Waste containing 1,3-Dioxan-2-one (CAS: 2453-03-4) should be handled cautiously. Initial steps include proper collection in suitable, leak-proof containers. For disposal, incineration is a common method, provided it is conducted in a controlled environment to prevent air pollution. Alternatively, professional waste disposal services can safely manage the waste, ensuring compliance with local environmental regulations. Always refer to the Material Safety Data Sheet (MSDS) for specific disposal procedures and to identify any specialized handling requirements.