5-O-Methylgenistein

Basic Information

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CAS Number

4569-98-6

Molecular Formula

C16H12O5

Molecular Weight

284.26 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Boiling Point

567.9±50.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

218.3±23.6 °C

Refractive Index

1.668

Vapor Pressure

0.0±1.6 mmHg at 25°C

SMILES

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COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

InChIKey

YSINCDVRUMTOPK-UHFFFAOYSA-N

Complexity

424

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-4H-chromen-4-one
4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-
7-Hydroxy-3-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one
5-O-Methylgenistein
7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one
Isoprunetin
SCHEMBL2146848
NS00097259
AKOS030553485
ACon1_000367
HY-N9134
5-methoxydaidzein
ISOFLAVONE, 4',7-DIHYDROXY-5-METHOXY-
SMR000440622
4569-98-6
LMPK12050338
7-Hydroxy-3-(4-hydroxyphenyl)-5-methoxy-4H-chromen-4-one
Isoprunetin, >=95% (LC/MS-ELSD)
UNII-Q2UG76ML8U
Q4639636
CHEMBL1479463
HMS2270K04
CS-0158830
MLS000877004
4',7-Dihydroxy-5-methoxyisoflavone
Q2UG76ML8U
5--O-Methylgenistein
MEGxp0_000246
NCGC00169144-01
BRD-K92298498-001-01-1
DTXSID00196598

MDL Number

MFCD18450707

FAQ

What are the physical and chemical properties of 5-O-Methylgenistein (CAS: 4569-98-6)?

5-O-Methylgenistein is a yellow to orange crystalline solid with a molecular weight of approximately 406.44 g/mol. It is slightly soluble in methanol and dimethylformamide (DMF) but is only sparingly soluble in water. This compound is known to be stable under normal conditions but exhibits reactivity towards strong acids and bases. It is used in various assays due to its chemical stability and reactivity.

How is 5-O-Methylgenistein (CAS: 4569-98-6) typically synthesized?

5-O-Methylgenistein is typically synthesized through a series of reactions involving genistein as the starting material. The process involves methylation followed by acetylation. Commonly used catalysts include sulfuric acid, and the reaction yields 5-O-methylgenistein with good selectivity and yield, making it a reliable method for large-scale production.

What industries use 5-O-Methylgenistein (CAS: 4569-98-6)?

5-O-Methylgenistein finds applications in the pharmaceutical industry for its anti-estrogenic properties, making it useful in hormone-related drugs. It is also used in the food industry as a potential natural pigment. Additionally, it has applications in the cosmetic industry for its antioxidant effects and in the research of biosensors for its unique chemical properties.

What precautions should be taken when handling 5-O-Methylgenistein (CAS: 4569-98-6)?

When handling 5-O-Methylgenistein, it is important to work in a well-ventilated area or a fume hood due to its potential for inhalation hazards. PPE such as gloves, lab coats, and safety goggles should be worn to protect against skin contact and eye irritation. Spills should be cleaned up using appropriate methods, and the Material Safety Data Sheet (MSDS) should be consulted for specific safety guidelines.