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Substance Name: Benzoic acid [USP:JAN]
RN: 65-85-0
UNII: 8SKN0B0MIM
InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N

Note

  • A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.

Molecular Formula

  • C7-H6-O2

Molecular Weight

  • 122.1224
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Anti-Infective Agents
  • Antifungal Agents
  • Food Additives
  • Food Preservatives
  • Growth Regulator / Fertilizer
  • Human Data
  • Mutation Data
  • Pharmaceutic Aid (Antifungal Agent)
  • Skin / Eye Irritant

Superlist Classification Code

  • Reportable Quantity (RQ) = 5000 lb

Names and Synonyms

Name of Substance

  • Benzoic acid
  • Benzoic acid [USP:JAN]

MeSH Heading

  • Benzoic acid

Synonyms

  • Acide benzoique
  • Acide benzoique [French]
  • Acido benzoico
  • Acido benzoico [Italian]
  • AI3-0310
  • AI3-03710
  • Benzenecarboxylic acid
  • Benzeneformic acid
  • Benzenemethanoic acid
  • Benzoate
  • Benzoate (VAN)
  • Benzoesaeure
  • Benzoesaeure GK
  • Benzoesaeure GV
  • Benzoesaeure [German]
  • Benzoic acid
  • Benzoic acid (natural)
  • Benzoic acid, tech.
  • Carboxybenzene
  • Caswell No. 081
  • CCRIS 1893
  • Dracylic acid
  • E 210
  • EC 200-618-2
  • EINECS 200-618-2
  • EPA Pesticide Chemical Code 009101
  • FEMA No. 2131
  • Flowers of benjamin
  • Flowers of benzoin
  • HA 1
  • HA 1 (acid)
  • HSDB 704
  • Kyselina benzoova
  • Kyselina benzoova [Czech]
  • NSC 149
  • Phenylcarboxylic acid
  • Phenylformic acid
  • Retarder BA
  • Retardex
  • Salvo liquid
  • Solvo powder
  • Tenn-Plas
  • UNII-8SKN0B0MIM
  • Unisept BZA

Systematic Name

  • Benzoic acid

Superlist Names

  • Benzenecarboxylic acid
  • Benzoic acid

Registry Numbers

CAS Registry Number

  • 65-85-0

FDA UNII

  • 8SKN0B0MIM

Other Registry Numbers

  • 331473-08-6
  • 8013-63-6

System Generated Number

  • 0000065850

Structure Descriptors

InChI

1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

InChIKey

WPYMKLBDIGXBTP-UHFFFAOYSA-N

Smiles

c1(ccccc1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 100mg/kg (100mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 23, 1959.
guinea pig LDLo intraperitoneal 1400mg/kg (1400mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 23, 1959.
guinea pig LDLo oral 2gm/kg (2000mg/kg)   Muenchener Medicinische Wochenschrift. Vol. 77, Pg. 13, 1930.
human TDLo skin 6mg/kg (6mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"
Journal of Allergy. Vol. 16, Pg. 195, 1945.
man LDLo oral 500mg/kg (500mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 715, 1979.
mouse LD50 intraperitoneal 1460mg/kg (1460mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
mouse LD50 oral 1940mg/kg (1940mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: OTHER CHANGES
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 359, 1984.
rabbit LD50 skin > 10gm/kg (10000mg/kg)   BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 28-4/1973,
rabbit LDLo oral 2gm/kg (2000mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 23, 1959.
rabbit LDLo subcutaneous 2gm/kg (2000mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 23, 1959.
rat LC50 inhalation > 26mg/m3/1H (26mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 28-4/1973,
rat LD50 intraperitoneal 1600mg/kg (1600mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973.
rat LD50 intravenous 1700mg/kg (1700mg/kg)   Acta Physiologica Polonica. Vol. 12, Pg. 173, 1961.
rat LD50 oral 1700mg/kg (1700mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 122.4 deg C   EXP
Boiling Point 249.2 deg C   EXP
pKa Dissociation Constant 4.19 (none) 25 EXP
log P (octanol-water) 1.87 (none)   EXP
Water Solubility 3400 mg/L 25 EXP
Vapor Pressure 7.00E-04 mm Hg 25 EXP
Henry's Law Constant 3.81E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.24E-12 cm3/molecule-sec 25 EST

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