CAS 476-66-4 Ellagic acid, 96% - Materials / Alfa Chemistry

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Ellagic acid, 96%

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Catalog Number

ACM476664-1

CAS Number

476-66-4

Product Name

Ellagic acid, 96%

Category

Monomers

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

302.19g/mol

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

Melting Point

greater than 680 °F (NTP, 1992);Greater than 360°C;>360 °C;>360°C

Density

1.667 at 64 °F (NTP, 1992)

Solubility

less than 1 mg/mL at 70° F (NTP, 1992);Slightly soluble in alcohol or water;Slightly soluble in alcohol; soluble in alkalies, in pyridine. Practically insoluble in ether;In water, 1.96X10+5 mg/L at 25 °C (est)

Application

Ellagic acid, 96%, is a cream to light yellow crystalline solid, soluble in methanol, ethanol, and DMSO, and is derived from sources like Mangifera indica and Eucalyptus citriodora. As a naturally occurring phenol antioxidant, ellagic acid is present in various fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. It exhibits significant hemostatic, antineoplastic, antimutagenic, antiproliferative, and antioxidant properties, highlighting its potential health benefits. Ellagic acid functions as a versatile compound in both medicine and cosmetics. It serves multiple roles from being a skin lightening agent to an inhibitor of several enzymes, such as DNA topoisomerase and tyrosinase. Additionally, it acts as an antitumor agent and an inhibitor of enzymes like glutathione S-transferase, which are involved in cellular defense mechanisms. Its use extends to the determination of factor XIIa in plasma, playing a part in blood coagulation processes, and as an ATP-competitive inhibitor of several kinases including casein kinase 2. These properties underscore its value as a functional ingredient in health-related applications.

Color/Form

Cream colored needles from pyridine

Complexity

475

Covalently-Bonded Unit Count

EC Number

207-508-3

Exact Mass

302.006267g/mol

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

302.006267g/mol

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)

Rotatable Bond Count

UNII

19YRN3ZS9P

Vapor Pressure

2.81X10-15 mm Hg at 25 °C (est)

XLogP3

1.1

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