金雀花素

Description

Genistein · CAS 446-72-0 · C15H10O5. UNII DH2M523P0H. Melting Point: 301.5; Melting Point: 301.5 °C; LogP: 3.9.

Identification

CAS Registry Number	446-72-0
PubChem CID	5280961
Molecular formula	C15H10O5
IUPAC name	5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
UNII (FDA)	DH2M523P0H

Computed Descriptors

Molecular Weight	270.24
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	270.05282342
Monoisotopic Mass	270.05282342
Topological Polar Surface Area	87
Heavy Atom Count	20
Formal Charge	0

Physical & Chemical Properties

Melting Point	301.5
Melting Point	301.5 °C
LogP	3.9
Collision Cross Section	163.6 Ų [M-H]-
Collision Cross Section	162.3 Ų [M+H]+
Collision Cross Section	176.5 Ų [M+Na]+

Physical description & handling notes

• Solid
• Rectangular or six-sided rods from 60% alcohol. Dendritic needles from ether
• 297-298 °C (slight decomposition)
• Soluble in the usual organic solvents; soluble in dilute alkalies with yellow color. Practically insoluble in water.
• 160.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5022308]
• 161.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5022308]

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Cosmetics ingredient -> Conditioning/Emollient
GHS notification summary	6.8% (6 / 88)

GHS Hazard Classification

GHS notification summary	6.8% (6 / 88)
Reported hazard statements	H302 (87.5%), H315 (37.5%), H319 (37.5%), H335 (37.5%), H400 (33%), H410 (33%)

Documented Uses

• Chemical probe to explore signal transduction pathways
• Currently Genistein is being studied in clinical trials as a treatment for prostate cancer.
• Cosmetics product ingredient: Genistein
• Reason for Listing: Listed as a reproductive or developmental toxicant in Monographs on the Potential Human Reproductive and Developmental Effects, National Toxicology Program, Office of Health Assessment and Translation.
• Potential Health Impacts: Developmental Toxicity and Endocrine Toxicity
• Preparation: from the glucoside by hydrolysis with emulsin

Synonyms

genistein; 446-72-0; Prunetol; 4',5,7-Trihydroxyisoflavone; Genisterin; Genisteol; Sophoricol; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; 5,7,4'-Trihydroxyisoflavone; Bonistein; Genestein; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; DTXSID5022308; 4',5, 7-Trihydroxyisoflavone

Frequently Asked Questions

What are the CAS number and molecular formula of Genistein?

CAS 446-72-0; molecular formula C15H10O5; molecular weight — g/mol.

What other names is Genistein known by?

genistein, 446-72-0, Prunetol, 4',5,7-Trihydroxyisoflavone, Genisterin, Genisteol.

What is the regulatory status of Genistein?

Documented regulatory listings: CIR / INCI: Cosmetics ingredient -> Conditioning/Emollient.

Is Genistein classified as hazardous?

6.8% of GHS notifications report no hazard classification (6 of 88).

What are the key physical properties of Genistein?

Melting Point: 301.5; Melting Point: 301.5 °C; LogP: 3.9; Collision Cross Section: 163.6 Ų [M-H]-.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.