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

CAS: 19455-20-0 Cat. No.: P160181 Peso molecular: 126.2 Número EC: 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

Sinónimos

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 |

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504769616
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769616
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(C)C(=O)[O-].[K+]
• PubChem CID: 23677462
• Peso molecular: 126.2
• Reaxy-Rn: 1098583

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 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

Referencias

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]