Potassium benzoate - ≥99% , CAS No.582-25-2

CAS: 582-25-2 Cat. No.: P104052 Formula: C₇H₅KO₂ Molecular Weight: 160.21 Beilstein Registry Number: 3719165 EC Number: 209-481-3

GRADE & PURITY ≥99%

Synonyms

potassium;benzoate | 763YQN2K7K | EINECS 209-481-3 | INS NO.212 | SCHEMBL16121 | FT-0632435 | Potassium benzoate (NF) | POTASSIUM BENZOATE [USP-RS] | Benzoicacidpotassiumsalt | TETRAHYDROFURAN [MI] | XAEFZNCEHLXOMS-UHFFFAOYSA-M | Tox21_202747 | Benzoic ac

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

potassium;benzoate | 763YQN2K7K | EINECS 209-481-3 | INS NO.212 | SCHEMBL16121 | FT-0632435 | Potassium benzoate (NF) | POTASSIUM BENZOATE [USP-RS] | Benzoicacidpotassiumsalt | TETRAHYDROFURAN [MI] | XAEFZNCEHLXOMS-UHFFFAOYSA-M | Tox21_202747 | Benzoic ac

Specifications & Purity

≥99%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488200371
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200371
• Canonical Smiles: C1=CC=C(C=C1)C(=O)[O-].[K+]
• IUPAC Name: potassium;benzoate
• InChIKey: XAEFZNCEHLXOMS-UHFFFAOYSA-M
• INCHI: 1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)[O-].[K+]
• WGK Germany: 1
• Molecular Weight: 160.21
• Beilstein: 3719165
• Reaxy-Rn: 3719165
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3719165&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in ethanol, slightly soluble in methanol, insoluble in ether.
• Sensitivity: Hygroscopic
• Melt Point(°C): >300℃
• Molecular Weight: 160.210 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.993 Da
• Monoisotopic Mass: 159.993 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3