Potassium citrate monobasic - AR, ≥98% , CAS No.866-83-1

CAS: 866-83-1 Cat. No.: P108905 Molecular Weight: 230.21 Beilstein Registry Number: 4772973 EC Number: 212-753-4

GRADE & PURITY AR, ≥98%

Synonyms

UNII-7177FA40DS | potassium;3-carboxy-3,5-dihydroxy-5-oxopentanoate | Potassium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate | Potassium citrate monobasic, >=98.0% (NT) | Potassium citrate monobasic | Potassium citrate, monobasic | SCHEMBL183003 | 717

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

UNII-7177FA40DS | potassium;3-carboxy-3, 5-dihydroxy-5-oxopentanoate | Potassium dihydrogen 2-hydroxypropane-1, 2, 3-tricarboxylate | Potassium citrate monobasic, >=98.0% (NT) | Potassium citrate monobasic | Potassium citrate, monobasic | SCHEMBL183003 | 717

Specifications & Purity

AR, ≥98%

Storage

Room temperature

Shipped In

Normal

Grade

AR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200503
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200503
• Canonical Smiles: C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[K+]
• IUPAC Name: potassium;3-carboxy-3,5-dihydroxy-5-oxopentanoate
• InChIKey: WKZJASQVARUVAW-UHFFFAOYSA-M
• INCHI: 1S/C6H8O7.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1
• Isomeric SMILES: C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[K+]
• WGK Germany: 3
• Molecular Weight: 230.21
• Beilstein: 4772973
• Reaxy-Rn: 6673518
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6673518&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Tertiary alcohols Carboxylic acid salts Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• 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

• Sensitivity: Hygroscopic
• Molecular Weight: 230.210 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 229.983 Da
• Monoisotopic Mass: 229.983 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 251.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yifan Liu, Zihui Jin, Di Sun, Bo Xu, Tianyu Lan, Qiyang Zhao, Yue He, Jing Li, Yongliang Cui, Yaohai Zhang.  (2024)  Preparation of hapten and monoclonal antibody of hesperetin and establishment of enzyme-linked immunosorbent assay.  TALANTA,      [PMID:39305766] [10.1016/j.talanta.2024.126912]

2. Yifan Liu, Zihui Jin, Di Sun, Jiexin Zheng, Bo Xu, Tianyu Lan, Qiyang Zhao, Yue He, Jing Li, Yaohai Zhang, Yongliang Cui.  (2024)  Preparation of monoclonal antibody against rhoifolin and its application in enzyme-linked immunosorbent assay of rhoifolin and diosmin.  TALANTA,      [PMID:39276572] [10.1016/j.talanta.2024.126871]

3. Yifan Liu, Bo Xu, Jiexin Zheng, Zihui Jin, Di Sun, Tianyu Lan, Qiyang Zhao, Yue He, Jing Li, Yongliang Cui, Yaohai Zhang.  (2025)  Preparation of hapten and monoclonal antibody of diosmin and establishment of enzyme-linked immunosorbent assay.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.115257]

4. Jiexin Zheng, Tianyu Lan, Bo Xu, Chunlei Cao, Feng Sun, Yue He, Qiyang Zhao, Jing Li, Yaohai Zhang, Chengqiu Wang, Yongliang Cui.  (2025)  Preparation of a monoclonal antibody against obacunone and its application in obacunone-specific enzyme-linked immunosorbent assay (ELISA).  Analytical Methods,      [PMID:41211693] [10.1039/D5AY01371B]