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HCID 5213Erstellt: 29. Oktober 2026

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

https://huagongshe.com/de/chemical/5213

Identifikatoren & physikalische Daten

CAS No.	22888-70-6
Summenformel	C25H22O10
Durchschnittliche Molmasse	482,4 g/mol
Monoisotopische Masse	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

Chemische & physikalische Eigenschaften

XLogP	2,4
Polarare Oberfläche (TPSA)	155
H-Brücken-Donoren	5
H-Brücken-Akzeptoren	10
Frei drehbare Bindungen	4
Schwere Atome	35
Formalladung	0
Komplexität	750
Arzneimittel	Pharmaceuticals -> Used in Switzerland
Kosmetika	Skin conditioning
LogP (Verteilungskoeffizient)	2.07
Schmelzpunkt	167 °C
Physical Description	Solid
Dichte	1.144
Dampfdruck	0.004Pa at 20℃
Henry-Konstante	6.2×1017 mol/(m3Pa) at 25℃, HSDB (2015)
Kosmetik-Inhaltsstoffe Funktionen	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\|

Sicherheit & Vorschriften

GHS-Einstufung	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.
Regulatorische Informationen	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.
Weitere Sicherheitsinformationen	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%)
Zollcode	2932996560
Gefahrstoffdaten	84604-20-6(Hazardous Substances Data)

CAS No.

22888-70-6

Summenformel

C25H22O10

Durchschnittliche Molmasse

482,4 g/mol

Monoisotopische Masse

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

Chemische & physikalische Eigenschaften

XLogP

2,4

Polarare Oberfläche (TPSA)

155

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

750

Arzneimittel

Pharmaceuticals -> Used in Switzerland

Kosmetika

Skin conditioning

LogP (Verteilungskoeffizient)

2.07

Schmelzpunkt

167 °C

Physical Description

Solid

Dichte

1.144

Dampfdruck

0.004Pa at 20℃

Henry-Konstante

6.2×1017 mol/(m3Pa) at 25℃, HSDB (2015)

Kosmetik-Inhaltsstoffe Funktionen

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|

Sicherheit & Vorschriften

GHS-Einstufung

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.

Regulatorische Informationen

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.

Weitere Sicherheitsinformationen

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%)

Zollcode

2932996560

Gefahrstoffdaten

84604-20-6(Hazardous Substances Data)