Methyl gallate

CAS

99-24-1

Catalog Number

ACM-MO-99241

Category

Inhibitors; Phenol

Molecular Weight

184.15 g/mol

Molecular Formula

C8H8O5

MSDS COA Spec Sheet

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Specification

Description

Methyl gallate is a plant phenolic with antioxidant, anticancer, and anti-inflammatory activities. Methyl gallate also shows bacterial inhibition activity. Methyl gallate also has anti-HIV-1 and HIV-1 enzyme inhibitory activities.

Synonyms

Methyl 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxy-benzoicacimethylester

IUPAC Name

methyl 3,4,5-trihydroxybenzoate

Canonical SMILES

COC(=O)C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3

InChI Key

FBSFWRHWHYMIOG-UHFFFAOYSA-N

Boiling Point

450.1±40.0 °C

Melting Point

201-203 °C

Appearance

Beige powder

Physical State

Solid

Specific Gravity

1.5

What is the molecular formula of methyl gallate?

The molecular formula of methyl gallate is C8H8O5.

What are some synonyms of methyl gallate?

Some synonyms of methyl gallate include gallic acid methyl ester, methyl 3,4,5-trihydroxybenzoate, and Methylgallate.

What is the molecular weight of methyl gallate?

The molecular weight of methyl gallate is 184.15 g/mol.

What are the computed descriptors for methyl gallate?

The computed descriptors for methyl gallate include the IUPAC name, InChI, InChIKey, and canonical SMILES.

What is the IUPAC name of methyl gallate?

The IUPAC name of methyl gallate is methyl 3,4,5-trihydroxybenzoate.

What is the InChI of methyl gallate?

The InChI of methyl gallate is InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3.

What is the InChIKey of methyl gallate?

The InChIKey of methyl gallate is FBSFWRHWHYMIOG-UHFFFAOYSA-N.

What is the canonical SMILES of methyl gallate?

The canonical SMILES of methyl gallate is COC(=O)C1=CC(=C(C(=C1)O)O)O.

What is the CAS number of methyl gallate?

The CAS number of methyl gallate is 99-24-1.

Where can methyl gallate be found naturally?

Methyl gallate can be found naturally in Euphorbia teheranica, Euphorbia hyssopifolia, and other organisms.