3-Methyl-4H-chromen-4-one

Basic Information

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CAS Number

85-90-5

Molecular Formula

C10H8O2

Molecular Weight

160.17 g/mol

EINECS

201-641-0

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

68°

Boiling Point

246.06°C (rough estimate)

Density

1.0924 (rough estimate)

Refractive Index

1.5300 (estimate)

SMILES

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Cc1coc2ccccc2c1=O

InChI

InChI=1S/C10H8O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-6H,1H3

InChIKey

ABJKIHHNDMEBNA-UHFFFAOYSA-N

LogP

2.10142

Topological Polar Surface Area

30.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

230

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

3-methyl-4h-1-benzopyran-4-on
3-methyl-4h-1-benzopyran-4-one
3-methyl-chromon
3-metil-cromone
crodimyl
cromonalgina
diacromone
spasmocromona
4H-1-Benzopyran-4-one,3-methyl-
3-methylchromen-4-one
3-methyl-4H-1-benzopyran-4-one
3-methyl-4H-chromen-4-one
3-methylbenzopyran-4-one
3-Methyl-chromen-4-on
3-methyl-chromen-4-one
3-methylchromone
4H-1-Benzopyran-4-one,3-methyl
Chromone,3-methyl
Crodimyl
Cromonalgina
Diacromone
methyl-3 chromone
Methylchromone
Spasmocromona
Tricromyl
3-Methyl-4H-1-benzopyran-4-one
3-Methyl-4H-chromen-4-one

MDL Number

MFCD00053599

EC Number

201-641-0

FAQ

What is 3-Methyl-4H-chromen-4-one (CAS: 85-90-5)?

3-Methyl-4H-chromen-4-one (CAS: 85-90-5) is a heterocyclic organic compound with a chromenone structure. It is a colorless or white crystalline solid with a molecular formula of C9H8O2 and a molecular weight of 152.16. This compound is characterized by its stability and unique chemical properties.

What are the main uses of 3-Methyl-4H-chromen-4-one (CAS: 85-90-5)?

3-Methyl-4H-chromen-4-one (CAS: 85-90-5) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also has applications in the agrochemical sector as a precursor for herbicides and fungicides. Additionally, it is utilized in research for its structural similarity to other chromenone derivatives.

Is 3-Methyl-4H-chromen-4-one (CAS: 85-90-5) safe?

3-Methyl-4H-chromen-4-one (CAS: 85-90-5) is generally considered safe for industrial use when handled properly. However, it is important to follow safety guidelines, including the use of appropriate personal protective equipment (PPE) such as gloves and goggles, and to avoid inhalation or contact with skin and eyes. Proper ventilation should also be ensured during handling.

How should 3-Methyl-4H-chromen-4-one (CAS: 85-90-5) be stored?

3-Methyl-4H-chromen-4-one (CAS: 85-90-5) should be stored in a cool, dry, and well-ventilated area away from heat and direct sunlight. It should be kept in a tightly sealed container to prevent moisture absorption. Handling should be done in a fume hood to avoid inhalation risks. Storage temperature should not exceed 25°C (77°F) and humidity should be controlled to prevent degradation.