Silymarin | CAS No. 84604-20-6

Silymarin

Basic Information

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CAS Number

84604-20-6

Molecular Formula

C25H22O10

Molecular Weight

482.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.144

SMILES

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COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

InChI

InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23?,24+,25-/m0/s1

InChIKey

SEBFKMXJBCUCAI-VGHNRKBZSA-N

LogP

2.3627000000000016

Topological Polar Surface Area

155.14000000000001 Å²

Hydrogen Bond Donor/Acceptor

5 / 10

Complexity

750

Synonyms & References

English

Silybum marianum, ext.
POWDERED MILK THISTLE EXTRACT (250 MG)
silybummarianum(linn.)gaertn.,extract
silybummarianumextract,lady’sthistleextract
Milk Thistle Extract
Einecs 283-298-7
Extract of lady'S thistle
Lady'S thistle (silybum marianum L. gaertner)
SILYBUM MARIANUM EXTRACT
MilkThistleExtract
Silymarin group, mixture of isomers
84604-20-6
SR-01000000093-8
NCGC00018179-03
802918-57-6
SILYMARIN
3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one
Silybin
(2R,3R)-3,5,7-trihydroxy-2-[(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one
3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one
MLS000028529
Silibinin (mixture of Silybin A and Silybin B)
CHEMBL1401508
4H-1-Benzopyran-4-one,2-[2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-
Silybin (7CI)
Silymarin,(S)
HMS1608M08
MLS006011786
AKOS021984433
SR-01000000093-5

FAQ

What are the physical and chemical properties of Silymarin (CAS: 84604-20-6)?

Silymarin (CAS: 84604-20-6) is a complex mixture of flavonolignans. It is typically a yellow to brown powder with a molecular weight of around 1000 Da. Silymarin has poor water solubility but good solubility in ethanol and other organic solvents. It is stable under neutral and slightly acidic conditions but can degrade under basic conditions. It has antioxidant and hepatoprotective properties.

How is Silymarin (CAS: 84604-20-6) typically synthesized?

Silymarin can be synthesized through chemical methods, involving the synthesis of silybin from 4,6-di-O-methyltyrosinol and 8-methoxysilybin. Commonly, it involves the use of acetic anhydride and pyridine as reagents, with a yield of approximately 60-70%. The synthesis process is selective and requires precise control of pH and temperature.

What industries use Silymarin (CAS: 84604-20-6)?

Silymarin is widely used in the pharmaceutical industry for its hepatoprotective properties. It is also utilized in the food industry as a natural coloring and antioxidant. Additionally, it has applications in the cosmetic industry for its skin care benefits. Research is ongoing in the development of its use in polymers and sensors.

What precautions should be taken when handling Silymarin (CAS: 84604-20-6)?

When handling Silymarin (CAS: 84604-20-6), it is important to wear gloves and goggles to protect against skin and eye contact. Silymarin should be stored in a cool, dry place away from direct sunlight. In case of a spill, use personal protective equipment (PPE) such as gloves and a fume hood. Refer to the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.