6,7-Dihydroxy-2H-chromen-2-one

Basic Information

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CAS Number

305-01-1

Molecular Formula

C9H6O4

Molecular Weight

178.14 g/mol

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

Physical State

Yellow powder

Melting Point

271-273 °C

Boiling Point

469.7°C at 760 mmHg

Flash Point

201.4 °C

Solubility

Solubility Almost insoluble in boiling water, ether; soluble in hot ethanol, glacial acetic acid

Refractive Index

1.4500 (estimate)

SMILES

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O=C1C=CC2=C(O1)C=C(O)C(O)=C2

InChI

InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H

InChIKey

ILEDWLMCKZNDJK-UHFFFAOYSA-N

LogP

1.2042

pKa

1.71(at 25℃)

Topological Polar Surface Area

70.67 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

248

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Storage Conditions

2-8℃

Synonyms & References

English

6,7-Dihydroxy-2H-chromen-2-one
CICHORIGENIN
CICHERINGENIN
ESCULETOL
ESCULETIN
AKOS 215-98
6,7-DIHYDROXY-CHROMEN-2-ONE
2H-1-BENZOPYRAN-2-ONE,6,7-DIHYDROXY
6,7-Dihydroxycoumarin
6,7-Dihydroxycoumarin (Esculetin)
Aesculetin
ESCULETIN(P) PrintBack
ESCULETIN(RG) PrintBack
6,7-dihydroxy-2H-1-benzopyran-2-one
Asculetine
Cryptotanshinone
Esculatin
MS]
[ "Aesculetin
Cichorigenin
Esculetin
Aesculetin,Asculetine,Cichorigenin,Cichoriin aglycon,Esculetin,Esculetol,Esculin aglycon,6,7-Dihydro...

MDL Number

MFCD00006874

Customs Code

2932209090

FAQ

What is 6,7-Dihydroxy-2H-chromen-2-one (CAS: 305-01-1)?

6,7-Dihydroxy-2H-chromen-2-one, with the CAS number 305-01-1, is a naturally occurring compound belonging to the chromone family. It has the chemical formula C9H6O4 and is commonly known as esculetin. This compound is a yellowish solid that is soluble in organic solvents and exhibits weak acidity due to its hydroxyl groups. It is used in various scientific and industrial applications due to its unique chemical properties.

What are the main uses of 6,7-Dihydroxy-2H-chromen-2-one (CAS: 305-01-1)?

6,7-Dihydroxy-2H-chromen-2-one, also known as esculetin, is widely used in pharmaceutical research as a precursor for the synthesis of certain drugs. It plays a role in the development of anticoagulant and anti-inflammatory compounds. In the food industry, it is used as a flavoring agent and in the production of certain natural extracts. Additionally, it is applied in analytical chemistry for spectroscopic studies and in the dye industry for its coloring properties.

Is 6,7-Dihydroxy-2H-chromen-2-one (CAS: 305-01-1) safe?

6,7-Dihydroxy-2H-chromen-2-one is generally considered safe when handled properly. However, it should be treated with caution as it may cause mild irritation to the skin and eyes. Protective gloves and goggles are recommended during handling. It is not classified as highly toxic, but adherence to standard chemical safety protocols is essential to ensure safe use in laboratories and industrial settings.

How should 6,7-Dihydroxy-2H-chromen-2-one (CAS: 305-01-1) be stored?

6,7-Dihydroxy-2H-chromen-2-one should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container at a temperature below 25°C and away from moisture. Exposure to light and air should be minimized to prevent degradation. Proper storage conditions are crucial for preserving its chemical integrity and extending its shelf life.