7-Methyl-2H-1,5-benzodioxepin-3(4H)-one

Basic Information

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CAS Number

28940-11-6

Molecular Formula

C10H10O3

Molecular Weight

178.19 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 Ethers

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

37.0 to 41.0 deg-C

Boiling Point

91°C/0.2mmHg

Density

1.196

Flash Point

129.3 °C

Refractive Index

1.538

SMILES

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Cc1ccc2c(c1)OCC(=O)CO2

InChI

InChI=1S/C10H10O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3

InChIKey

SWUIQEBPZIHZQS-UHFFFAOYSA-N

LogP

1.3353199999999998

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

202

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

7-Methyl-2H-benzo[b][1,4]dioxepin-3(4H)-one
7-Methyl-1,5-benzodioxepan-3-one
7-Methyl-2H-1,5-benzodioxepin-3(4H)-one
7-METHYL-3,4-DIHYDRO-2H-1,5-BENZDIOXEPINE-3-ONE
Watermelon Ketone
7-Methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-one
calone
CALONE 1951
METHYL BENZODIOXEPINONE
Watermelon
watermelone ketone
Water-melone ketone
Watermelonketonecalone
7-Methylbenzo[b][1,4]dioxepin-3-one
7-Methyl-2H-benzo-1,5-dioxepin-3(4H)-one
10-Methyl-2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-4-one
Methylbenzodioxepinone
2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-
0NQ136C313
WatermelonKetone
DSSTox_RID_82166
DSSTox_CID_27165
DSSTox_GSID_4716
Watermelon ketone

MDL Number

MFCD07371373

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one (CAS: 28940-11-6)?

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one (CAS: 28940-11-6) is a crystalline compound with a molecular weight of 224.22 g/mol. It has a solubility of 0.01 g/100 mL in water. The compound is known for its reactivity, particularly towards nucleophilic substitution reactions. It is sparingly soluble in common organic solvents like ethanol and acetone.

How is 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one (CAS: 28940-11-6) typically synthesized?

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one (CAS: 28940-11-6) is typically synthesized via the condensation of 2,3-dihydro-1,5-benzodioxepin-3-one with methyl iodide in the presence of sodium carbonate. The reaction yields a high selectivity and a good yield of the desired product.

What industries use 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one (CAS: 28940-11-6)?

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one (CAS: 28940-11-6) is primarily used in the pharmaceutical industry for the synthesis of various drug molecules. It also finds applications in polymer science, particularly in the development of advanced materials. Additionally, it is used in the fabrication of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one (CAS: 28940-11-6)?

When handling 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one (CAS: 28940-11-6), proper personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn. The compound should be handled in a well-ventilated area or under a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbent materials, and the site should be thoroughly washed with water. For more detailed safety information, refer to the Safety Data Sheet (SDS).