Scopoletin | CAS No. 92-61-5

Scopoletin

Basic Information

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CAS Number

92-61-5

Molecular Formula

C10H8O4

Molecular Weight

192.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Melting Point

203-205 °C

Boiling Point

288.14°C (rough estimate)

Density

1.2932 (rough estimate)

Flash Point

172.4ºC

Solubility

1e+006 mg/L @ 25 °C (est)

Refractive Index

1.5430 (estimate)

SMILES

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COC1=C(C=C2C(=C1)C=CC(=O)O2)O

InChI

InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3

InChIKey

RODXRVNMMDRFIK-UHFFFAOYSA-N

LogP

1.5071999999999999

Topological Polar Surface Area

59.67 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

261

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

7-Hydroxy-6-methoxy-2H-chromen-2-one
2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-
6-Methoxy-7-hydroxycoumarin
6-Methylesculetin
6-O-Methylesculetin
7-hydroxy-6-methoxy-2h-1-benzopyran-2-on
7-hydroxy-6-methoxy-coumari
beta-Methylesculetin
Buxuletin
Scopoletine
7-hydroxy-6-methoxychromen-2-one
Scopoletin
SCOPOLETIN(AS)
SCOPOLETIN(AS) PrintBack
SCOPOLETIN(P) (AHP Verified)
6-methoxy-7-hydroxy-coumarin
6-MethoxyuMbelliferone
7-hydroxy-6-methoxy-2H-1-benzopyran-2-one
7-hydroxy-6-methoxy-2H-benzopyran-2-one
7-Hydroxy-6-methoxycoumarin
Chrysatropic acid
Esculetin-6-Methyl ester
Gelseminic acid
Murrayetin
Scopoletol
β-Methylesculetin
Escopoletin
Esculetin-6-methyl Ether
[ "7-Hydroxy-6-methoxycoumarin" ]
Esculetin 6-methyl ether
.beta.-Methylesculetin

MDL Number

MFCD00006872

Customs Code

2932209090

FAQ

What is Scopoletin (CAS: 92-61-5)?

Scopoletin is a naturally occurring organic compound classified as a coumarin derivative. Its chemical formula is C12H10O5, and it appears as a white crystalline powder. It is slightly soluble in water but more soluble in ethanol and other organic solvents. Scopoletin exhibits antioxidant and anti-inflammatory properties, making it relevant in pharmaceutical and research contexts.

What are the main uses of Scopoletin (CAS: 92-61-5)?

Scopoletin is primarily used in pharmaceuticals as a precursor for anticoagulant and anti-inflammatory drugs. It also serves as a food additive for flavoring and in industrial applications like dye production. In research, it is studied for its potential therapeutic effects, including antimicrobial and antidiabetic properties. Additionally, it is used in traditional medicine and as a plant-derived compound in cosmetic formulations.

Is Scopoletin (CAS: 92-61-5) safe?

Scopoletin is generally considered safe in low concentrations, but proper handling is essential. It may cause mild irritation if inhaled or contacted with skin, so protective gear like gloves and goggles is recommended. While not classified as highly toxic, long-term exposure or high doses could pose risks. Safety standards advise following OSHA guidelines for chemical handling and ensuring adequate ventilation during use.

How should Scopoletin (CAS: 92-61-5) be stored?

Scopoletin should be stored in a cool, dry place away from light to maintain stability. Keep it in a sealed, airtight container to prevent moisture absorption and degradation. It is best stored at temperatures below 25°C and humidity levels under 60%. Avoid exposure to air and heat to preserve its chemical integrity and prolong shelf life.