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Substance Name: Pyrogallol [NF]
RN: 87-66-1
UNII: 01Y4A2QXY0
InChIKey: WQGWDDDVZFFDIG-UHFFFAOYSA-N

Note

  • A trihydroxybenzene or dihydroxy phenol that can be prepared by heating GALLIC ACID.

Molecular Formula

  • C6-H6-O3

Molecular Weight

  • 126.1104
 

Classification Codes

  • Antioxidants
  • Drug / Therapeutic Agent
  • Human Data
  • Mutation Data
  • Protective Agents
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Names and Synonyms

Name of Substance

  • 1,2,3-Benzenetriol
  • CI 76515
  • Pyrogallic acid
  • Pyrogallol
  • Pyrogallol [NF]

MeSH Heading

  • Pyrogallol

Synonyms

  • 1,2,3-Benzenetriol
  • 1,2,3-Trihydroxybenzen
  • 1,2,3-Trihydroxybenzen [Czech]
  • 1,2,3-Trihydroxybenzene
  • 215
  • 4-06-00-07327 (Beilstein Handbook Reference)
  • AI3-00709
  • Benzene, 1,2,3-trihydroxy-
  • BRN 0907431
  • C.I. 76515
  • C.I. Oxidation Base 32
  • CCRIS 1940
  • CI 76515
  • CI Oxidation Base 32
  • EINECS 201-762-9
  • Fouramine Brown AP
  • Fourrine 85
  • Fourrine PG
  • HSDB 794
  • NSC 5035
  • Pyro
  • Pyrogallic acid
  • Pyrogallol
  • UNII-01Y4A2QXY0

Systematic Names

  • 1,2,3-Benzenetriol
  • Pyrogallol

Superlist Name

  • Pyrogallol

Registry Numbers

CAS Registry Number

  • 87-66-1

FDA UNII

  • 01Y4A2QXY0

System Generated Number

  • 0000087661

Structure Descriptors

InChI

1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H

InChIKey

WQGWDDDVZFFDIG-UHFFFAOYSA-N

Smiles

c1(c(cccc1O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
dog LDLo intravenous 80mg/kg (80mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 254, 1955.
dog LDLo oral 25mg/kg (25mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 254, 1955.
dog LDLo subcutaneous 300mg/kg (300mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 254, 1955.
frog LDLo subcutaneous 200mg/kg (200mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS

SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE
Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
human LDLo oral 28mg/kg (28mg/kg) GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 507, 1969.
man LDLo subcutaneous 120mg/kg (120mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Znetralbaltt fuer die Medizinischen Wissenschaften. Vol. 19, Pg. 545, 1881.
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 oral 300mg/kg (300mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(8), Pg. 6, 1973.
mouse LD50 subcutaneous 566mg/kg (566mg/kg)   Zeitschrift fuer die Gesamte Innere Medizin und Ihre Grenzgebiete. Vol. 2, Pg. 333, 1947.
rabbit LD50 oral 1600mg/kg (1600mg/kg) GASTROINTESTINAL: GASTRITIS

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
American Journal of Veterinary Research. Vol. 23, Pg. 1264, 1962.
rabbit LDLo subcutaneous 1gm/kg (1000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rat LDLo subcutaneous 650mg/kg (650mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 133 deg C   EXP
Boiling Point 309 deg C   EXP
pKa Dissociation Constant 9.01 (none)   EXP
log P (octanol-water) 0.970 (none)   EST
Water Solubility 5.07E+05 mg/L 25 EXP
Henry's Law Constant 6.07E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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