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

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

CAS No.: 1004-36-0
M. Wt: 124.14
M. Fa: C7H8O2
InChI Key: VSYFZULSKMFUJJ-UHFFFAOYSA-N
Appearance: Pale-brown Solid

Names and Identifiers of 2,6-Dimethyl-4H-pyran-4-one

CAS Number

1004-36-0

EC Number

213-719-1

MDL Number

MFCD00006579

IUPAC Name

2,6-dimethylpyran-4-one

InChI

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

InChIKey

VSYFZULSKMFUJJ-UHFFFAOYSA-N

Canonical SMILES

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

UNII

V2D262MF0L

UNSPSC Code

12352100

Physical and chemical properties of 2,6-Dimethyl-4H-pyran-4-one

Boiling Point

249.0±0.0 °C at 760 mmHg

BRN

107418

Density

1.1±0.1 g/cm3

Exact Mass

124.052429

Flash Point

103.4±12.3 °C

Index of Refraction

1.485

LogP

0.10

Melting Point

133-137 °C(lit.)

Molecular Formula

C7H8O2

Molecular Weight

124.14

PSA

30.21000

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0.0±0.5 mmHg at 25°C

Water Solubility

Slightly soluble in water.

Safety Information of 2,6-Dimethyl-4H-pyran-4-one

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

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

The applications of 2,6-Dimethyl-4H-pyran-4-one span multiple fields:

  • Agriculture: It is used as an active ingredient in pesticides due to its biological activity against pests.
  • Pharmaceuticals: Its antimicrobial properties make it useful in developing new medications.
  • Flavoring Agents: The compound is also utilized in flavoring and fragrance formulations due to its pleasant aroma.

These diverse applications underscore the compound's significance in both industrial and research contexts.

Interaction Studies of 2,6-Dimethyl-4H-pyran-4-one

Studies on the interactions of 2,6-Dimethyl-4H-pyran-4-one with other chemical species have revealed insights into its reactivity and potential toxicity. For instance, investigations into its reaction pathways with phosgene provide valuable information regarding safety measures necessary when handling this compound in industrial settings.

Biological Activity of 2,6-Dimethyl-4H-pyran-4-one

Research indicates that 2,6-Dimethyl-4H-pyran-4-one exhibits significant biological activity. It has been noted for its potential antimicrobial properties, making it a candidate for use in pharmaceuticals and agricultural applications. Specific studies have shown that derivatives of this compound can inhibit the growth of certain bacteria and fungi.

Physical sample testing spectrum (NMR) of 2,6-Dimethyl-4H-pyran-4-one

Physical sample testing spectrum (NMR) of 2,6-Dimethyl-4H-pyran-4-one

Retrosynthesis analysis of 2,6-Dimethyl-4H-pyran-4-one

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  • Route#2

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  • Route#3

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