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Substance Name: Gallic acid methyl ester
RN: 99-24-1
UNII: 623D3XG80C
InChIKey: FBSFWRHWHYMIOG-UHFFFAOYSA-N

Note

  • Has both immunosuppressive and phytogenic antineoplastic activities; isolated from Acer saccharinum.

Molecular Formula

  • C8-H8-O5

Molecular Weight

  • 184.1462
 

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product
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Names and Synonyms

Name of Substance

  • Gallic acid methyl ester
  • Methyl gallate

Synonyms

  • 4-10-00-01998 (Beilstein Handbook Reference)
  • AI3-00861
  • Benzoic acid, 3,4,5-trihydroxy-, methyl ester
  • BRN 2113180
  • CCRIS 5567
  • EINECS 202-741-7
  • Methyl 3,4,5-trihydroxybenzoate
  • Methyl gallate
  • NSC 363001
  • UNII-623D3XG80C

Systematic Names

  • Benzoic acid, 3,4,5-trihydroxy-, methyl ester
  • Gallic acid, methyl ester
  • Methyl 3,4,5-trihydroxybenzoate
  • Methylgallate

Registry Numbers

CAS Registry Number

  • 99-24-1

FDA UNII

  • 623D3XG80C

System Generated Number

  • 0000099241

Structure Descriptors

InChI

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

InChIKey

FBSFWRHWHYMIOG-UHFFFAOYSA-N

Smiles

c1(cc(c(O)c(c1)O)O)C(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 784mg/kg (784mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 286, 1982.
mouse LD50 intravenous 470mg/kg (470mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 286, 1982.
mouse LD50 oral 1700mg/kg (1700mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 286, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 261.5 deg C   EXP
log P (octanol-water) 0.86 (none)   EXP
Water Solubility 1.06E+04 mg/L   EXP
Vapor Pressure 1.78E-06 mm Hg 25 EST
Henry's Law Constant 3.91E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.74E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.