Daidzein

Description

Daidzein is identified by CAS 486-66-8, molecular formula C15H10O4 and molecular weight 254.06 g/mol. UNII 6287WC5J2L; ChEBI 28197; InChIKey ZQSIJRDFPHDXIC-UHFFFAOYSA-N. Melting Point: 323 °C; LogP: 3.42; Collision Cross Section: 156.2 Ų [M+H]+.

Identification

CAS Registry Number	486-66-8
PubChem CID	5281708
Molecular formula	C15H10O4
Molecular weight	254.06 g/mol
IUPAC name	7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
InChIKey	ZQSIJRDFPHDXIC-UHFFFAOYSA-N
UNII (FDA)	6287WC5J2L
ChEBI ID	CHEBI:28197

Computed Descriptors

Molecular Weight	254.24
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	254.05790880
Monoisotopic Mass	254.05790880
Topological Polar Surface Area	66.8
Heavy Atom Count	19
Formal Charge	0

Physical & Chemical Properties

Melting Point	323 °C
LogP	3.42
Collision Cross Section	156.2 Ų [M+H]+
Collision Cross Section	172 Ų [M+Na]+
Collision Cross Section	161.8 Ų [M-H]-

Physical description & handling notes

• Solid
• 155.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9022310]
• 155.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9022310]
• 167.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9022310]
• 159.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9022310]
• 162.33 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

Regulatory Status

GHS notification summary	3.7% (3 / 81)

GHS Hazard Classification

GHS notification summary	3.7% (3 / 81)
Reported hazard statements	H315 (95.1%), H319 (95.1%)

Documented Uses

• Isoflavones compounds are found in a number of plants, but soybeans and soy products like tofu and textured vegetable protein are the primary food source. Equol represents the main active product of daidzein metabolism, produced via specific microflora in the gut.
• Compounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS.
• Daidzein has known human metabolites that include (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid and Dihydrodazein.
• Daidzein is a known human metabolite of formononetin.

Synonyms

daidzein; 486-66-8; 4',7-Dihydroxyisoflavone; Daidzeol; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Diadzein; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; DTXSID9022310; 6287WC5J2L; DTXCID102310; CHEBI:28197; RefChem:5729; 207-635-4

Frequently Asked Questions

What are the CAS number and molecular formula of Daidzein?

CAS 486-66-8; molecular formula C15H10O4; molecular weight 254.06 g/mol.

What other names is Daidzein known by?

daidzein, 486-66-8, 4',7-Dihydroxyisoflavone, Daidzeol, 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, 7,4'-Dihydroxyisoflavone.

Is Daidzein classified as hazardous?

3.7% of GHS notifications report no hazard classification (3 of 81).

What are the key physical properties of Daidzein?

Melting Point: 323 °C; LogP: 3.42; Collision Cross Section: 156.2 Ų [M+H]+; Collision Cross Section: 172 Ų [M+Na]+.

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.