Ellagic acid

• CAS: 476-66-4
• Catalog Number: ACM476664-2
• Category: Inhibitors
• Molecular Weight: 302.19
• Molecular Formula: C14H6O8
• Description: Ellagic acid appears as cream-colored needles (from pyridine) or yellow powder. Odorless. (NTP, 1992);Solid
• Synonyms: Eleagicacid
• 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
• 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
• 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
• Active Content: 95%
• Color/Form: Cream colored needles from pyridine
• Complexity: 475
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits acrid smoke and irritating vapors.
• EC Number: 207-508-3
• Exact Mass: 302.00626715
• Formal Charge: 0
• H-Bond Acceptor: 8
• H-Bond Donor: 4
• Heavy Atom Count: 22
• LogP: log Kow = -2.05 (est)
• 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)
• Physical State: Solid
• Refractive Index: 1.5800
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 134 Ų
• UNII: 19YRN3ZS9P
• Vapor Pressure: 2.81X10-15 mm Hg at 25 °C (est)
• XLogP3: 1.1

Custom Q&A

What is the CAS number for Ellagic acid?

The CAS number for Ellagic acid is 476-66-4.

How does Ellagic acid appear physically?

Ellagic acid appears as cream-colored needles (from pyridine) or yellow powder. It is odorless.

What is the molecular weight of Ellagic acid?

The molecular weight of Ellagic acid is 302.19.

What is the molecular formula of Ellagic acid?

The molecular formula of Ellagic acid is C14H6O8.

What is the IUPAC name for Ellagic acid?

The IUPAC name for Ellagic acid is 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.

What is the melting point of Ellagic acid?

The melting point of Ellagic acid is greater than 360 °C.

What is the density of Ellagic acid at 64 °F?

The density of Ellagic acid is 1.667 at 64 °F.

What is the percentage of actives in Ellagic acid?

The percentage of actives in Ellagic acid is 95%.

How is Ellagic acid typically used?

Ellagic acid is used as an antioxidant.

Can you provide the SMILES notation for Ellagic acid?

The SMILES notation for Ellagic acid is C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O.