5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one

Basic Information

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CAS Number

1194700-73-6

Molecular Formula

C9H8O3

Molecular Weight

164.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

SMILES

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O=C1OCc2c1ccc(c2C)O

InChI

InChI=1S/C9H8O3/c1-5-7-4-12-9(11)6(7)2-3-8(5)10/h2-3,10H,4H2,1H3

InChIKey

XCLSUJASPNFYRV-UHFFFAOYSA-N

LogP

1.37102

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

202

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

5-Hydroxy-4-methylisobenzofuran-1(3h)-one
5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one
5-hydroxy-4-methyl-3H-isobenzofuran-1-one
XCLSUJASPNFYRV-UHFFFAOYSA-N
FCH2051492
AK475524
5-hydroxy-4-methyl-3H-2-benzofuran-1-one

MDL Number

MFCD24729793

FAQ

What regulatory guidelines apply to 5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one (CAS: 1194700-73-6)?

5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one (CAS: 1194700-73-6) must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA guidelines. It should be handled according to local safety data sheets (SDS) and national regulations.

Are there alternatives to 5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one (CAS: 1194700-73-6) in synthesis?

There are several alternatives to 5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one (CAS: 1194700-73-6) in synthesis, including analogs like 3-Hydroxy-4-methyl-2-benzofuran-1(3H)-one and isomers. Common alternative reagents include substituents like methyl or ethyl groups, which can be used in place of the hydroxy and methyl groups.

What is the market or research trend for 5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one (CAS: 1194700-73-6)?

The market for 5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one (CAS: 1194700-73-6) is growing due to its use in pharmaceuticals and cosmetics. Research trends include exploring its potential in anti-inflammatory and antioxidant applications, as well as investigating its synthetic routes and environmental impact.

How should waste containing 5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one (CAS: 1194700-73-6) be handled?

Waste containing 5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one (CAS: 1194700-73-6) should be collected in appropriate containers, labeled with the chemical name and CAS number, and disposed of through professional waste disposal services. Environmental protection measures include ensuring proper incineration and minimizing the release of harmful substances during disposal.