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Potassium benzoate - 99%, high purity , CAS No.582-25-2
Basic Description
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 Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
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.
Names and Identifiers
Pubchem Sid
488200371
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488200371
IUPAC Name
potassium;benzoate
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
Smiles
C1=CC=C(C=C1)C(=O)[O-].[K+]
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
XLogP3
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
Citations of This Product
1.
Huaxun Luo, Weida Chen, Jiaming Hu, Feng Zhang, Xingbang Hu.
(2023)
Highly Selective Oxidation of Toluene to Benzaldehyde in Alkaline Systems. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,
62
(26):
(10051–10056).
2.
Chang Liu, Peng Wang, Xueke Liu, Xiaotong Yi, Zhiqiang Zhou, Donghui Liu.
(2019)
Multifunctional β-Cyclodextrin MOF-Derived Porous Carbon as Efficient Herbicides Adsorbent and Potassium Fertilizer. ACS Sustainable Chemistry & Engineering,
7
(17):
(14479–14489).
3.
Tong Yun, Hengzhuo Cai, Wanyang Lyu, Xubing Lu, Xingsen Gao, Jun-Ming Liu, Sujuan Wu.
(2024)
Regulation of the Buried Interface to Achieve Efficient HTL-Free All-Inorganic CsPbI2Br-Based Perovskite Solar Cells. ACS Applied Materials & Interfaces,
16
(42):
(57412-57420).
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3 Citations
F2527066