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Substance Name: 4-Hydroxybenzoic acid
RN: 99-96-7
UNII: JG8Z55Y12H
InChIKey: FJKROLUGYXJWQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-O3

Molecular Weight

  • 138.1214
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxybenzoic acid

Synonyms

  • 4-Carboxyphenol
  • 4-Hydroxybenzoesaeure
  • 4-Hydroxybenzoic acid
  • Acido p-idrossibenzoico
  • Acido p-idrossibenzoico [Italian]
  • AI3-01003
  • CCRIS 8812
  • EC 202-804-9
  • EINECS 202-804-9
  • HSDB 7233
  • Kyselina 4-hydroxybenzoova
  • Kyselina 4-hydroxybenzoova [Czech]
  • NSC 4961
  • p-Hydroxybenzoic acid
  • p-Oxybenzoesaure
  • p-Oxybenzoesaure [German]
  • p-Salicylic acid
  • UNII-JG8Z55Y12H

Systematic Names

  • 4-Hydroxybenzoic acid
  • Benzoic acid, 4-hydroxy-
  • Benzoic acid, p-hydroxy-

Superlist Names

  • 4-Hydroxybenzoic acid
  • Benzoic acid, p-hydroxy-

Registry Numbers

CAS Registry Number

  • 99-96-7

FDA UNII

  • JG8Z55Y12H

Related Registry Numbers

  • 114-63-6 (mono-hydrochloride salt)
  • 16782-08-4 (mono-potassium salt)

System Generated Number

  • 0000099967

Structure Descriptors

InChI

1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

InChIKey

FJKROLUGYXJWQN-UHFFFAOYSA-N

Smiles

c1(C(=O)O)ccc(cc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 210mg/kg (210mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 260, 1956.
mouse LD50 oral 2200mg/kg (2200mg/kg)   Drug Standards. Vol. 20, Pg. 89, 1952.
mouse LD50 subcutaneous 1050mg/kg (1050mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.
rat LD50 intraperitoneal 340mg/kg (340mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 85, 1986.
rat LD50 oral > 10gm/kg (10000mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE WEAKNESS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(7), Pg. 53, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 214.5 deg C   EXP
pKa Dissociation Constant 4.54 (none)   EXP
log P (octanol-water) 1.58 (none)   EXP
Water Solubility 5000 mg/L 25 EXP
Henry's Law Constant 1.13E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.30E-11 cm3/molecule-sec 25 EST

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