1(3H)-Isobenzofuranone, 5,7-dihydroxy-

Basic Information

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CAS Number

27979-58-4

Molecular Formula

C8H6O4

Molecular Weight

166.13 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

Physical State

Powder

SMILES

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C1C2=C(C(=CC(=C2)O)O)C(=O)O1

InChI

InChI=1S/C8H6O4/c9-5-1-4-3-12-8(11)7(4)6(10)2-5/h1-2,9-10H,3H2

InChIKey

MASWIRTUXFZGAF-UHFFFAOYSA-N

LogP

0.7682000000000002

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

203

Synonyms & References

English

5,7-dihydroxy-1(3H)-Isobenzofuranone
5,7-dihydroxy-3H-2-benzofuran-1-one
5,7-Dihydroxyphthalide
1(3H)-Isobenzofuranone, 5,7-dihydroxy-
5,7-Dihydroxy-2-benzofuran-1(3H)-one
5,7-dihydroxyisobenzofuran-1(3H)-one
E87538
5,7-DIHYDROXY-1,3-DIHYDRO-2-BENZOFURAN-1-ONE
AKOS023398778
5,7-DIHYDROXY-3H-2-BENZOFURAN-1-ONE
DTXSID30453767
MFCD15146119
5,7-dihydroxyphthalide
starbld0038605
27979-58-4
CHEMBL4076121

FAQ

What is 1(3H)-Isobenzofuranone, 5,7-dihydroxy (CAS: 27979-58-4)?

1(3H)-Isobenzofuranone, 5,7-dihydroxy (CAS: 27979-58-4) is a chemical compound with a molecular structure characterized by a furanone ring fused to a benzene ring, with hydroxyl groups at the 5 and 7 positions. It is a white crystalline solid with a distinctive odor.

What are the main uses of 1(3H)-Isobenzofuranone, 5,7-dihydroxy (CAS: 27979-58-4)?

1(3H)-Isobenzofuranone, 5,7-dihydroxy is primarily used as a flavor and fragrance ingredient in the food and cosmetic industries. It is also utilized in the pharmaceutical industry as a precursor for the synthesis of other compounds and in research for its bioactive properties.

Is 1(3H)-Isobenzofuranone, 5,7-dihydroxy (CAS: 27979-58-4) safe?

1(3H)-Isobenzofuranone, 5,7-dihydroxy (CAS: 27979-58-4) is generally considered safe for its intended uses. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) such as gloves and goggles. Exposure should be avoided by inhaling the vapors or coming into skin contact.

How should 1(3H)-Isobenzofuranone, 5,7-dihydroxy (CAS: 27979-58-4) be stored?

1(3H)-Isobenzofuranone, 5,7-dihydroxy (CAS: 27979-58-4) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container, preferably glass or a metal container, to prevent degradation. The storage temperature should not exceed 25°C, and the relative humidity should be controlled to minimize the risk of moisture-induced changes in the compound.