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Methyl gallate

Methyl gallate structure

CAS No:
99-24-1
Formula:
C8H8O5
Chemical Name:
Methyl gallate
Synonyms:
Benzoic acid,3,4,5-trihydroxy-,methyl ester;Gallic acid,methyl ester;Methyl gallate;3,4,5-Trihydroxybenzoic acid methyl ester;Methyl 3,4,5-trihydroxybenzoate;NSC 363001;Gallincin
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

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

Methyl 3,4,5-trihydroxybenzoate is a gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties. It has a role as a plant metabolite, an anti-inflammatory agent and an antioxidant.

Methyl gallate Basic Attributes

Molecular Weight：

184.15

Exact Mass：

184.15

BRN：

2113180

EC Number：

202-741-7

UNII：

623D3XG80C

NSC Number：

363001

DSSTox ID：

DTXSID3059189

HScode：

29182900

Characteristics

PSA：

XLogP3：

0.9

Appearance：

White to slightly beige Crystalline Powder

Density：

1.5±0.1 g/cm3

Melting Point：

261.5 °C

Boiling Point：

278.08°C (rough estimate)

Flash Point：

190.8±20.8 °C

Refractive Index：

1.631

Water Solubility：

soluble in hot water;ethanol: 50 mg/mL, clear

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38-43

safety instructions：

26-36/37-24/25

RTECS Number：

LW8000000

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H317-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

gallic acid, methyl ester

Methyl gallate Use and Manufacturing

Methods of Manufacturing

It is prepared by the esterification of gallic acid and methanol under the catalysis of sulfuric acid.

Uses

Methyl gallate exhibits potent antitumor activities by inhibiting tumor infiltration of CD4+CD25+ regulatory T cells.

Manufacturing Info：

Benzoic acid, 3,4,5-trihydroxy-, methyl ester: ACTIVE

Computed Properties

Molecular Weight:184.15
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:184.03717335
Monoisotopic Mass:184.03717335
Topological Polar Surface Area:87
Heavy Atom Count:13
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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