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Substance Name: Sodium benzoate [USAN:JAN:NF]
RN: 532-32-1
UNII: OJ245FE5EU
InChIKey: WXMKPNITSTVMEF-UHFFFAOYSA-M

Note

  • The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.

Molecular Formulas

  • C7-H5-Na-O2
  • C7-H5-O2.Na
  • C7-H6-O2.Na

Molecular Weight

  • 144.1045
 

Classification Codes

  • Agricultural Chemical
  • Anti-Infective Agents
  • Antifungal Agents
  • Antihyperammonemic
  • Drug / Therapeutic Agent
  • Food Additives
  • Food Preservatives
  • Mutation Data
  • Pharmaceutic Aid (Antifungal Agent)
  • Reproductive Effect
  • Unspecified / Unclassified Pesticide

Names and Synonyms

Name of Substance

  • Benzoic acid, sodium salt
  • Sodium benzoate
  • Sodium benzoate [USAN:JAN:NF]

MeSH Heading

  • Sodium benzoate

Synonyms

  • AI3-07835
  • Antimol
  • Benzoan sodny
  • Benzoan sodny [Czech]
  • Benzoate of soda
  • Benzoate sodium
  • Benzoesaeure (na-salz)
  • Benzoesaeure (na-salz) [German]
  • Caswell No. 746
  • CCRIS 3921
  • EC 208-534-8
  • EINECS 208-534-8
  • EPA Pesticide Chemical Code 009103
  • FEMA No. 3025
  • FEMA Number 3025
  • HSDB 696
  • Natrium benzoicum
  • Sobenate
  • Sodium benzoate
  • UNII-OJ245FE5EU

Systematic Names

  • Benzoic acid, sodium salt
  • Benzoic acid, sodium salt (1:1)
  • Sodium benzoate

Superlist Names

  • Benzoate of soda
  • Benzoic acid, sodium salt
  • Sodium benzoate
  • Sodium benzoate solution

Mixture Names

  • Ammonul
  • Ucephan

Registry Numbers

CAS Registry Number

  • 532-32-1

FDA UNII

  • OJ245FE5EU

System Generated Number

  • 0000532321

Molecular Formulas

Molecular Formulas

  • C7-H5-Na-O2
  • C7-H5-O2.Na
  • C7-H6-O2.Na

Molecular Formula Fragments

  • C7-H5-O2
  • C7-H6-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1

InChIKey

WXMKPNITSTVMEF-UHFFFAOYSA-M

Smiles

c1(ccccc1)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 2gm/kg (2000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 34, 1974.
frog LDLo subcutaneous 100mg/kg (100mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1313, 1935.
guinea pig LDLo intraperitoneal 1400mg/kg (1400mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1313, 1935.
guinea pig LDLo subcutaneous 1gm/kg (1000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 28(1), Pg. 45, 1963.
mouse LD50 intramuscular 2306mg/kg (2306mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 307, 1956.
mouse LD50 intravenous 1440mg/kg (1440mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 6, Pg. 290, 1963.
mouse LD50 oral 1600mg/kg (1600mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 75, 1986.
rabbit LD50 oral 2gm/kg (2000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 34, 1974.
rabbit LD50 subcutaneous 2gm/kg (2000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 34, 1974.
rat LD50 intravenous 1714mg/kg (1714mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 31, Pg. 253, 1942.
rat LD50 oral 4070mg/kg (4070mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.
rat LD50 subcutaneous 2gm/kg (2000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 28(1), Pg. 45, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point >300 deg C   EXP
log P (octanol-water) -2.270 (none)   EST
Water Solubility 5.56E+05 mg/L 25 EXP
Vapor Pressure 3.67E-09 mm Hg 25 EST
Atmospheric OH Rate Constant 1.78E-12 cm3/molecule-sec 25 EST

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