CAS 476-66-4 Ellagic acid - Materials / Alfa Chemistry

NAVIGATION

Ellagic acid

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Catalog Number

ACM476664-2

CAS Number

476-66-4

Product Name

Ellagic acid

Structure

Category

Monomers

Synonyms

Eleagicacid

Description

Ellagic acid appears as cream-colored needles (from pyridine) or yellow powder. Odorless. (NTP, 1992);Solid

IUPAC Name

6,7,13,14-Tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

Molecular Weight

302.19

Molecular Formula

C14H6O8

Canonical SMILES

C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O

InChI

InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H

InChI Key

AFSDNFLWKVMVRB-UHFFFAOYSA-N

Boiling Point

363.24 °C

Melting Point

≥350 °C

Flash Point

310.1 °C

Purity

98%

Density

1.667 g/cm³

Solubility

Slightly soluble in alcohol, water

Appearance

Solid

Application

Ellagic acid, a cream to light yellow crystalline solid, is derived from various plants like Mangifera indica and Eucalyptus citriodora, and is soluble in methanol, ethanol, DMSO, and other organic solvents. Naturally occurring in fruits such as raspberries, strawberries, cranberries, and pomegranates, ellagic acid serves several vital roles. As a phenolic compound and antioxidant, it is utilized in both medicine and cosmetics due to its diverse biological activities, which include hemostatic, antineoplastic, antimutagenic, antiproliferative, and antiviral properties. Additionally, it serves as a skin lightening agent and shows potential in inhibiting enzymes like DNA topoisomerases and glycogen phosphorylase. Its antitumor and geroprotective effects, along with its role as a glutathione S-transferase inhibitor and its involvement in blood coagulation processes, underline its considerable potential health benefits and functional versatility.

Storage

2-8 °C

Color/Form

Cream colored needles from pyridine

Complexity

475

Covalently-Bonded Unit Count

EC Number

207-508-3

Exact Mass

302.00626715

Formal Charge

Heavy Atom Count

Log P

log Kow = -2.05 (est)

MeSH Entry Terms

Acid, Benzoaric;Acid, Ellagic;Benzoaric Acid;Ellagic Acid

Monoisotopic Mass

302.00626715

NSC Number

758198;656272;407286

Other Experimental

Needles from acetic anhydride, mp 340 °C /Tetraacetate/;mp: >300 °C /Hydrate, technical grade/;Hydroxyl radical reaction rate constant = 1.48X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

1.5800

Rotatable Bond Count

Topological Polar Surface Area

134 Å²

UNII

19YRN3ZS9P

Vapor Pressure

2.81X10-15 mm Hg at 25 °C (est)

XLogP3

1.1

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