sodium benzoate

• ChemBase ID: 102268
• Molecular Formular: C7H5NaO2
• Molecular Mass: 144.10317
• Monoisotopic Mass: 144.01872368
• SMILES: [Na+].[O-]C(=O)c1ccccc1
• Canonical SMILES: [O-]C(=O)c1ccccc1.[Na+]
• InChI: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium benzoate
• IUPAC Traditional name: sodium benzoate; potassium benzoate
• Synonyms: Natrii benzoas; Benzoic acid sodium salt; E211, benzoate of soda; Sodium benzoate; Carboxybenzene sodium salt; Sodium Benzoate; Antimol; Sobenate; BENZOIC ACID SODIUM SALT; Sodium benzoate; BENZOTRON™; 苯甲酸钠; 苯甲酸 钠盐; 苯甲酸钠

Database IDs

• CAS Number: 532-32-1
• EC Number: 208-534-8
• MDL Number: MFCD00012463
• Beilstein Number: 3572467
• Merck Index: 148582
• PubChem SID: 24846890; 24886163; 24850911; 24901435; 24871518; 162088062; 24891719
• PubChem CID: 517055
• CHEMBL: 1356
• Chemspider ID: 10305
• FEMA ID: 3025
• Unique Ingredient Identifier: OJ245FE5EU
• Wikipedia Title: Sodium_benzoate
• E Number: E211

CALCULATED PROPERTIES

• Acid pKa: 4.0752335
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.19342963
• LogD (pH = 7.4): -1.4835135
• Log P: 1.6308287
• Molar Refractivity: 44.1513 cm^3
• Polarizability: 12.569108 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless; soluble in ethanol; soluble in water; Soluble in water, alcohol
• Apperance: powder; white or colorless crystalline powder
• Melting Point: >300 °C(lit.); >300°C; 300°C; 410 - 430 °C
• Flash Point: > 100 °C (closed cup and DIN 51758); >100 °C; >212 °F; 100 °C
• Auto Ignition Point: 500 °C
• Density: 1.44 g/cm^3; 1.497 g/cm^3
• Vapor Pressure: Zero (does not form a vapor)
• pKa: 4.202
• Odor: odorless
• pH: 7.0-8.5 (25 °C, 1 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: DH6650000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36; 36/38; R:36/37/38
• Safety Statements: 26; 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  1

  2

  0
• LD50: 4100 mg/kg (oral, rat)
• GHS Hazard statements: H315-H319-H303; H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P312; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (150.141); FDA 21 CFR (150.161); FDA 21 CFR (166.110); FDA 21 CFR (181.23)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99%; ≥98.5%; ≥99%; ≥99.0%; ≥99.0% (NT); ≥99.5% (NT); 99%; 99.0-100.5% (calc. to the dried substance)
• Grade: analytical standard; FG; Halal; Kosher; NI; Ph Eur; puriss.; purum p.a.; ReagentPlus®; SAJ first grade; SAJ special grade
• Packaging: ampule of 1000 mg
• Suitability: complies for appearance of solution
• Impurities: ≤0.0005% Phosphorus (P); ≤0.001% heavy metals (as Pb); ≤0.03% halogenated compounds (as Cl); ≤0.1% Insoluble matter; acidity or alkalinity, complies; insoluble matter, passes filter test; oxidizable impurities, complies; residual solvents, complies
• Cation Traces: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; As: ≤2 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.01%; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤10 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; Hg: ≤1 mg/kg; K: ≤0.05%; K: ≤200 mg/kg; K: ≤2000 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤2 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤10 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.05%; chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤0.5% loss on drying, 20 °C (HV); ≤1% loss on drying, 105 °C
• Quality: meets analytical specification of Ph. Eur., BP, FCC, E211
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Product Line: BioUltra
• abs.: absorption1M/295 nm, H2O cut-off
• Linear Formula: C6H5COONa

DETAILS

MP Biomedicals - 02100909

Sodium Salt
Crystalline
Purity: 99+%

Sigma Aldrich - 71295

Other Notes
Preservative mostly for food products. The effect is best exhibited in slightly acidic media, no effect in basic media1; Exhibits fungicidal activity in pharmaceutical preparations2,3

Sigma Aldrich - W302503

Packaging
1 kg in poly bottle
1 sample in glass bottle
10, 25 kg in fiber drum

Sigma Aldrich - 109169

Packaging
1 kg in poly bottle
25 g in poly bottle
3 kg in poly drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 18106

Legal Information
BENZOTRON is a trademark of Sigma-Aldrich Co. LLC