2,6-Dimethyl-4H-pyran-4-one

Basic Information

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CAS Number

1004-36-0

Molecular Formula

C7H8O2

Molecular Weight

124.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

132.0 to 136.0 deg-C

Boiling Point

248-250 °C

Water Solubility

Slightly soluble in water.

Flash Point

248-250°C

Refractive Index

1.5300 (estimate)

SMILES

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CC1=CC(=O)C=C(O1)C

InChI

InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3

InChIKey

VSYFZULSKMFUJJ-UHFFFAOYSA-N

LogP

1.25664

Topological Polar Surface Area

30.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

179

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

NSC 48105
A-pyrone
NSC8735
2,6-dimethylpyran-4-one
2,6-dimethyl-4H-pyran-4o-one
Q27291448
2,6-Dimethyl-gamma-pyrone
2,6-Dimethyl-.gamma.-pyrone
FT-0610694
F1244-0115
InChI=1/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H
NS00015537
EN300-20155
1004-36-0
NSC48105
2,6-Dimethyl-g-pyrone
W-108963
2,6-Dimethyl-pyran-4-one
MFCD00006579
2,6-Dimethyl- gamma -pyrone
4H-Pyran-4-one,6-dimethyl-
NSC-8735
2,6-dimethyl 4-pyrone
SCHEMBL9586
NSC-48105
CCRIS 3601
V2D262MF0L
CS-W011185
DTXSID6074415
D0794
P16521

MDL Number

MFCD00006579

Customs Code

29329995

FAQ

What regulatory guidelines apply to 2,6-Dimethyl-4H-pyran-4-one (CAS: 1004-36-0)?

2,6-Dimethyl-4H-pyran-4-one (CAS: 1004-36-0) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a flammable liquid. It is also subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation in the European Union, which requires manufacturers and importers to register substances that meet the threshold of 1 ton per year. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may also regulate its use and disposal based on specific applications.

Are there alternatives to 2,6-Dimethyl-4H-pyran-4-one (CAS: 1004-36-0) in synthesis?

For the synthesis of similar compounds, 2,6-Dimethyl-4H-pyran-4-one (CAS: 1004-36-0) can be replaced by its analogs such as 2,5-Dimethyl-4H-pyran-4-one or 2,7-Dimethyl-4H-pyran-4-one. Other alternatives include using isocyanates or ketones as reagents in the reaction pathways, depending on the desired product.

What is the market or research trend for 2,6-Dimethyl-4H-pyran-4-one (CAS: 1004-36-0)?

The market for 2,6-Dimethyl-4H-pyran-4-one (CAS: 1004-36-0) is steadily growing due to its use as a building block in the synthesis of various pharmaceuticals and agrochemicals. Research trends indicate an increasing focus on developing more sustainable synthesis methods and exploring its potential in new applications such as optoelectronic materials and coatings.

How should waste containing 2,6-Dimethyl-4H-pyran-4-one (CAS: 1004-36-0) be handled?

Waste containing 2,6-Dimethyl-4H-pyran-4-one (CAS: 1004-36-0) should be collected in appropriate containers and stored in a well-ventilated area away from ignition sources. It should be disposed of via incineration or professional waste disposal services that comply with local regulations. Proper protective equipment and safety measures must be taken during handling to prevent exposure and fire hazards.