HuagongsheHuagongshe Chemistry Print Report · For research reference only
Silymarin
Silybum marianum, ext. · Unii-822I9lej7s · Einecs 283-298-7 · Silymarin 80% UV · Fly thistle extract · Milk Thistle Extract · Silymarin, Silymarine · Lady'S thistle extract
Identifiers & Physical Properties
| CAS No. | 22888-70-6 |
|---|---|
| Molecular formula | C25H22O10 |
| Average molar mass | 482.4 g/mol |
| Monoisotopic mass | 482.12129689 g/mol |
| SMILES | COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O |
| InChIKey | SEBFKMXJBCUCAI-UHFFFAOYSA-N |
| PubChem CID | 5213 |
| ChEMBL | CHEMBL4630684 |
| ChEBI | CHEBI:125451 |
| EC No. | 613-830-9 |
| DTXSID | DTXSID00860287 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 155 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 4 |
| Heavy atoms | 35 |
| Formal charge | 0 |
| Complexity | 750 |
| Drugs | Pharmaceuticals -> Used in Switzerland |
| Cosmetics | Skin conditioning |
| LogP (partition coefficient) | 2.07 |
| Melting point | 167 °C |
| Physical Description | Solid |
| Density | 1.144 |
| Vapor pressure | 0.004Pa at 20℃ |
| Henry's law constant | 6.2×1017 mol/(m3Pa) at 25℃, HSDB (2015) |
| Cosmetics Ingredients Functions | SKIN CONDITIONING - EMOLLIENTSKIN PROTECTINGSKIN CONDITIONING |
| InChIKey | SEBFKMXJBCUCAI-REIQKMFONA-N |
| SMILES | [C@@H]1(C2=CC=C3O[C@@H](CO)[C@@H](C4=CC=C(O)C(OC)=C4)OC3=C2)OC2=C(C(O)=CC(O)=C2)C(=O)C1O |&1:0,6,9,r| |
| Toxicology and Carcinogenesis | Toxicology and Carcinogenesis Studies of Milk Thistle Extract (CASRN 84604-20-6) in F344/N Rats and B6C3F1 Mice (Feed studies) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H412-H317-H226 |
| GHS precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P501 |
| Customs code | 2932996560 |
| Hazardous substances data | 84604-20-6(Hazardous Substances Data) |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH361 (98.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: SilymarinChemical: Silybum marianum extractSilymarin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in AustraliaIMAP assessments - Silybum marianum extract: Environment tier I assessment |
| Hazard Classes and Categories | Repr. 2 (98.2%) |
| Customs code | 2932996560 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H412-H317-H226 |
| REACH registrations | Active |
| GHS precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P501 |
| Hazardous substances data | 84604-20-6(Hazardous Substances Data) |
Applications & Uses
Description
Milk Thistle Extract is prepared from the milk thistle. This plant belongs to the sunflower family and has been revered for thousands of years as an effective healing herb. Milk Thistle extract is popular in Europe and the United States as it is used for various liver diseases. It is also used for viral hepatitis, acute and chronic hepatitis, cirrhosis, fatty liver, nutritional and metabolic disease, and cardiovascular disease.