potassium benzoate

• ChemBase ID: 112034
• Molecular Formular: C7H5KO2
• Molecular Mass: 160.2117
• Monoisotopic Mass: 159.99266108
• SMILES: [K+].[O-]C(=O)c1ccccc1
• Canonical SMILES: [O-]C(=O)c1ccccc1.[K+]
• InChI: InChI=1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
• InChIKey: XAEFZNCEHLXOMS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium benzoate
• IUPAC Traditional name: potassium ion benzoate; potassium benzoate
• Synonyms: Benzoic Acid, potassium salt; POTASSIUM BENZOATE; Benzoic acid; potassium salt; Benzoic acid potassium salt; Potassium benzoate; 苯甲酸 钾盐; 苯甲酸钾

Database IDs

• CAS Number: 582-25-2
• EC Number: 209-481-3
• MDL Number: MFCD00013061
• Beilstein Number: 3719165
• Merck Index: 141091
• PubChem SID: 24857420; 24881786; 162097264
• PubChem CID: 23661960
• Chemspider ID: 10921
• Unique Ingredient Identifier: 763YQN2K7K
• Wikipedia Title: Potassium_benzoate

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: 65 g/100 mL (20 °C) in water; Soluble in ethanol ; Slightly soluble in methanol ; Insoluble in ether
• Apperance: White hygroscopic solid
• Melting Point: > 300 °C; >300°C
• Auto Ignition Point: 950°C (1742°F) >
• Density: 1.5 g/cm^3
• Odor: Odorless

Safety Information

• Storage Warning: Hygroscopic
• German water hazard class: 1
• TSCA Listed: 是
• NFPA704:
  

  1

  2

  0
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (NT); 99%
• Grade: purum; ReagentPlus®
• Linear Formula: C6H5COOK

DETAILS

MP Biomedicals - 05222267

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 290009

Packaging
1 kg in poly bottle
250 g in poly bottle
5 g in glass bottle
Legal Information
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