1-(6-Methoxy-1,3-benzodioxol-5-yl)-1-propanone

Basic Information

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CAS Number

70342-29-9

Molecular Formula

C11H12O4

Molecular Weight

208.21 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Solubility

Methanol

SMILES

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CCC(=O)c1cc2c(cc1OC)OCO2

InChI

InChI=1S/C11H12O4/c1-3-8(12)7-4-10-11(15-6-14-10)5-9(7)13-2/h4-5H,3,6H2,1-2H3

InChIKey

XPHIRVUYIBXETG-UHFFFAOYSA-N

LogP

2.0165999999999995

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

241

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Methyl kakuol
1-(6-methoxy-1,3-benzodioxol-5-yl)propan-1-one
1-(6-Methoxy-2H-1,3-benzodioxol-5-yl)propan-1-one
1-(6-methoxybenzo[d][1,3]dioxol-5-yl)propan-1-one
2-methoxy-4,5-methylenedioxypropiophenone
2'-Methoxy-4',5'-methylenedioxypropiophenone
2-Methoxy-4,5-methylenedioxypropiophenone

MDL Number

MFCD30608285

FAQ

What is 1-(6-Methoxy-1,3-benzodioxol-5-yl)-1-propanone (CAS: 70342-29-9)?

1-(6-Methoxy-1,3-benzodioxol-5-yl)-1-propanone is a chemical compound with the CAS number 70342-29-9. It is a colorless to white crystalline solid with a molecular formula of C13H12O3 and a melting point of 99-101°C. The compound is characterized by its unique structural features, including a 1,3-benzodioxole ring and a methoxy group.

What are the main uses of 1-(6-Methoxy-1,3-benzodioxol-5-yl)-1-propanone (CAS: 70342-29-9)?

1-(6-Methoxy-1,3-benzodioxol-5-yl)-1-propanone is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also has applications in the chemical industry, particularly in the production of dyes and other organic compounds.

Is 1-(6-Methoxy-1,3-benzodioxol-5-yl)-1-propanone (CAS: 70342-29-9) safe?

1-(6-Methoxy-1,3-benzodioxol-5-yl)-1-propanone is generally considered safe when handled with appropriate precautions. It is important to follow safety guidelines, including proper ventilation, protective clothing, and the use of gloves. Direct contact with skin or eyes should be avoided, and the compound should be stored in a cool, dry place away from sources of ignition.

How should 1-(6-Methoxy-1,3-benzodioxol-5-yl)-1-propanone (CAS: 70342-29-9) be stored?

1-(6-Methoxy-1,3-benzodioxol-5-yl)-1-propanone should be stored in a cool, dry place with a temperature not exceeding 25°C. It should be kept away from direct sunlight and sources of ignition. The compound should be stored in a tightly sealed container to prevent moisture absorption. Exposure to excessive humidity and high temperatures should be avoided to maintain the stability of the compound.