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Substance Name: Gentisic acid [INN]
RN: 490-79-9
UNII: VP36V95O3T
InChIKey: WXTMDXOMEHJXQO-UHFFFAOYSA-N

Note

  • A oxidative product of saligenin.

Molecular Formula

  • C7-H6-O4

Molecular Weight

  • 154.1204
 

Classification Codes

  • Mutation Data
  • Natural Product
  • Reproductive Effect
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Names and Synonyms

Results Name

  • Gentisic acid [INN]

Name of Substance

  • 2,5-Dihydroxybenzoic acid
  • Gentisic acid
  • Gentisic acid [INN]

Synonyms

  • 2,5-Dhba
  • 2,5-Dihydroxybenzoic acid
  • 2,5-Dioxybenzoic acid
  • 4-10-00-01441 (Beilstein Handbook Reference)
  • 5-Hydroxysalicylic acid
  • Acide gentisique
  • Acide gentisique [INN-French]
  • Acido 2,5-diidrossibenzoico
  • Acido 2,5-diidrossibenzoico [Italian]
  • Acido gentisico
  • Acido gentisico [INN-Spanish]
  • Acidum gentisicum
  • Acidum gentisicum [INN-Latin]
  • AI3-60431
  • Benzoic acid, 2,5-dihydroxy-
  • BRN 2209119
  • EINECS 207-718-5
  • Gensigen
  • Gensigon
  • Gentisate
  • Hydroquinonecarboxylic acid
  • Kyselina 2,5-dihydroxybenzoova
  • Kyselina 2,5-dihydroxybenzoova [Czech]
  • Kyselina gentisinova
  • Kyselina gentisinova [Czech]
  • NSC 27224
  • Salicylic acid, 5-hydroxy-
  • UNII-VP36V95O3T

Systematic Names

  • Benzoic acid, 2,5-dihydroxy-
  • Gentisic acid

Registry Numbers

CAS Registry Number

  • 490-79-9

FDA UNII

  • VP36V95O3T

Related Registry Number

  • 4955-90-2 (mono-hydrochloride salt)

System Generated Number

  • 0000490799

Structure Descriptors

InChI

1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)

InChIKey

WXTMDXOMEHJXQO-UHFFFAOYSA-N

Smiles

OC(=O)c1cc(O)ccc1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 374mg/kg (374mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 254, 1953.
mouse LD50 oral 4500mg/kg (4500mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 8, Pg. 30, 1953.
rat LD50 intraperitoneal 3gm/kg (3000mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 199.5 deg C   EXP
pKa Dissociation Constant 2.951 (none) 25 EXP
log P (octanol-water) 1.74 (none)   EXP
Water Solubility 5000 mg/L 5 EXP
Vapor Pressure 2.10E-06 mm Hg 25 EST
Henry's Law Constant 1.48E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.30E-12 cm3/molecule-sec 25 EST

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