3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione

Basic Information

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CAS Number

520-45-6

Molecular Formula

C8H8O4

Molecular Weight

168.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

111-113 °C

Boiling Point

270 °C

Solubility

2g/l

Refractive Index

1.4611 (estimate)

SMILES

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CC(=O)c1c(O)cc(C)oc1=O

InChI

InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3

InChIKey

PGRHXDWITVMQBC-UHFFFAOYSA-N

LogP

0.85642

Topological Polar Surface Area

67.50999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

287

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Stability

Stable. Incompatible with oxidizing agents, bases, reducing agents.

Toxicity

LD50 orally in rats: 1000 mg/kg (Spencer)

Synonyms & References

English

3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione
2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone
3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one
3-Acetyl-6-methyl-2,4-pyrandione
3-Acetyl-6-methyl-2-pyranone
DHA
DHAA
Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-
Dehydroacetic acid
3-ACETYL-4-HYDROXY-6-METHYL-2-PYRONE
Biocide 470F
DEHYDROACETIC ACID (DHA)
2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid δ-lactone
2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid δ-lactone
3-acetyl-6-methyl-(2H)-pyran-2,4(3H)dione
DEHYDRACETIC ACID
DEHYDRACETSAEURE
DEHYDRANONE
dehydro-aceticaci
Geogard(R) 111A
Geogard(R) 221
Geogard(R) 361
Methylacetopyronone
2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid delta-lactone
Acetic acid, dehydro-
2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-
3-Acetyl-6-methyl-pyran-2,4-dione
3-Acetyl-6-methyldihydropyrandione-2,4
PGRHXDWITVMQBC-UHFFFAOYSA-N
3-Acetyl-6-methylpyrandione-2,4
Dehydroacetic acid, 98%

MDL Number

MFCD00066709

Customs Code

29322980

FAQ

What is 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione (CAS: 520-45-6)?

3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione (CAS: 520-45-6) is a synthetic organic compound with the molecular formula C8H10O4. It features a pyranone ring substituted with acetyl and methyl groups, making it a key intermediate in pharmaceutical and chemical research. This compound is typically a white solid with specific solubility properties and is used for its structural versatility in functional group synthesis.

What are the main uses of 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione (CAS: 520-45-6)?

3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione (CAS: 520-45-6) is primarily used in pharmaceuticals as a building block for drug development. It also finds applications in industrial chemistry for polymer synthesis and as a precursor in food additives. Researchers utilize it for studying organic reactions and functional group modifications due to its stability and reactivity in chemical processes.

Is 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione (CAS: 520-45-6) safe?

3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione (CAS: 520-45-6) is generally considered safe when handled properly in controlled environments. However, it may cause skin or eye irritation, so protective measures like gloves and safety goggles are recommended. Safety standards emphasize avoiding inhalation and ensuring proper ventilation during use, as it is not classified as highly toxic but requires standard chemical handling protocols.

How should 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione (CAS: 520-45-6) be stored?

3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione (CAS: 520-45-6) should be stored in a sealed, airtight container in a cool (below 25°C), dry, and dark place to maintain stability. It is sensitive to moisture and light, so storage conditions must prevent exposure. Keeping it in a well-ventilated area and away from incompatible substances ensures long-term preservation and safety.