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Substance Name: Gallic acid [NF]
RN: 149-91-7
UNII: 632XD903SP
InChIKey: LNTHITQWFMADLM-UHFFFAOYSA-N

Note

  • A colorless or slightly yellow crystalline compound obtained from nutgalls. It is used in photography, pharmaceuticals, and as an analytical reagent.

Molecular Formula

  • C7-H6-O5

Molecular Weight

  • 170.1194
 

Classification Codes

  • Agricultural Chemical
  • Growth Regulator / Fertilizer
  • Mutation Data
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • 3,4,5-Trihydroxybenzoic acid
  • Gallic acid
  • Gallic acid [NF]

MeSH Heading

  • Gallic acid

Synonyms

  • 3,4,5-Trihydroxybenzoic acid
  • 3-10-00-02070 (Beilstein Handbook Reference)
  • AI3-16412
  • Benzoic acid, 3,4,5-trihydroxy-
  • BRN 2050274
  • CCRIS 5523
  • EINECS 205-749-9
  • Gallic acid
  • Gallic acid, tech.
  • Gallicum acidum
  • HSDB 2117
  • Kyselina 3,4,5-trihydroxybenzoova
  • Kyselina 3,4,5-trihydroxybenzoova [Czech]
  • Kyselina gallova
  • Kyselina gallova [Czech]
  • NSC 20103
  • NSC 674319
  • UNII-632XD903SP

Systematic Names

  • 3,4,5-Trihydroxybenzoic acid
  • Benzoic acid, 3,4,5-trihydroxy-
  • Gallic acid

Registry Numbers

CAS Registry Number

  • 149-91-7

FDA UNII

  • 632XD903SP

System Generated Number

  • 0000149917

Structure Descriptors

InChI

1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)

InChIKey

LNTHITQWFMADLM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4300mg/kg (4300mg/kg)   Pharmacology and Toxicology Vol. 64, Pg. 247, 1989.
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02597,
rabbit LD50 oral 5gm/kg (5000mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LIVER: OTHER CHANGES
American Journal of Veterinary Research. Vol. 23, Pg. 1264, 1962.
rat LDLo subcutaneous 5gm/kg (5000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 253 dec deg C   EXP
pKa Dissociation Constant 3.13 (none) 20 EXP
log P (octanol-water) 0.7 (none)   EXP
Water Solubility 1.19E+04 mg/L 20 EXP
Vapor Pressure 1.19E-07 mm Hg 25 EST
Henry's Law Constant 8.48E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.08E-10 cm3/molecule-sec 25 EST

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