Potassium Isobutyrate - ≥98%(T) , CAS No.19455-20-0

CAS: 19455-20-0 Cat. No.: P160181 Molecular Weight: 126.2 EC Number: 243-077-8 PubChem CID: 23677462

GRADE & PURITY ≥98%(T)

Synonyms

I0107 | Propanoic acid, 2-methyl-, potassium salt | Potassium 2-methylpropanoate | Isobutyric Acid Potassium Salt | AKOS015914313 | EINECS 243-077-8 | Kaliumisobutyrat | LBOHISOWGKIIKX-UHFFFAOYSA-M | potassium;2-methylpropanoate | potassium terbutanoate |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

I0107 | Propanoic acid, 2-methyl-, potassium salt | Potassium 2-methylpropanoate | Isobutyric Acid Potassium Salt | AKOS015914313 | EINECS 243-077-8 | Kaliumisobutyrat | LBOHISOWGKIIKX-UHFFFAOYSA-M | potassium;2-methylpropanoate | potassium terbutanoate |

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504769616
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769616
• Canonical Smiles: CC(C)C(=O)[O-].[K+]
• IUPAC Name: potassium;2-methylpropanoate
• InChIKey: LBOHISOWGKIIKX-UHFFFAOYSA-M
• INCHI: 1S/C4H8O2.K/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);/q;+1/p-1
• Isomeric SMILES: CC(C)C(=O)[O-].[K+]
• PubChem CID: 23677462
• Molecular Weight: 126.2
• Reaxy-Rn: 1098583

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid salts
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
• 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: Moisture sensitive
• Molecular Weight: 126.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.008 Da
• Monoisotopic Mass: 126.008 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 60.700
• 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

References

1. Qingjun Zhang, Youguang Ma, Xigang Yuan, Aiwu Zeng.  (2022)  Box-Behnken experimental design for optimizing process parameters in carbonate-promoted direct thiophene carboxylation reaction with carbon dioxide.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2022.09.007]

2. Qingjun Zhang, Pengyuan Shi, Xigang Yuan, Youguang Ma, Aiwu Zeng.  (2022)  Direct carboxylation of thiophene with CO2 in the solvent-free carboxylate-carbonate molten medium: Experimental and mechanistic insights.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2022.09.003]