П-толуат калия

Substance identification

Potassium p-toluate (potassium salt of p-toluic acid, English name Potassium p-toluate) - potassium salt of 4-methylbenzoic acid, CAS 16518-25-5, formula C8H7KO2. Synonyms: potassium p-methylbenzoate, potassium 4-methylbenzoate.

Basic Attributes

• Molecular Weight: 174.23828
• Exact weight: 174.008
• DSSTox ID: DTXSID00598199
• HS code: 2916399090
• PSA specifications: 40.1
• XLogP3: 0.3585

Scope of application

P-toluic (4-methylbenzoic) acid and its salts are used as reagents in organic synthesis. It is known to use p-toluic acid and its derivatives in the preparation of 2-aryl-1,3,4-oxadiazoles - heterocyclic compounds studied as potential antibacterial agents, as well as in the synthesis of 4-(bromomethyl)benzoic acid - an intermediate product of pharmaceutical chemistry, from which benzyl derivatives are then obtained for pharmaceutical synthesis. Potassium salt as a water-soluble form of the acid is convenient for carrying out reactions in aqueous and aqueous-organic media where controlled release of the carboxylate anion is required without the use of organic bases, and is also used as an analytical reagent and standard for quality control in chromatography and titrimetry. Aromatic carboxylic acids of the toluic acid series generally serve as building blocks for the synthesis of esters, amides and other derivatives used in fine organic synthesis, and p-toluic acid itself is a well-known intermediate product of oxidative processes in petrochemistry, structurally related to terephthalic acid. Salts of aromatic carboxylic acids, including toluates, are also used as buffer components and crystallization modifiers in laboratory practice.

What is known about the physical properties

The product dump does not contain data on density, melting and boiling points, solubility and hazard parameters - this information is not provided by the manufacturer, so they are not included in the description to avoid speculation. The molecule belongs to the aromatic carboxylates of alkali metals: judging by the low XLogP3 value (0.3585) and moderate polar surface (PSA 40.1), the compound is highly soluble in water due to the ionic carboxylate group, in contrast to free p-toluic acid, which is poorly soluble in water. To clarify the physical parameters, it is recommended to request a batch analysis certificate from the supplier.

Storage and transportation conditions

For carboxylate salts of alkali metals, the general recommendation is storage in a dry, well-ventilated area in a sealed container, away from sources of moisture and strong acids that displace free toluic acid with the formation of a slightly soluble precipitate. No special transport hazard categories or UN codes are specified for the product; During transportation, observe the general requirements for bulk chemical reagents, protect the container from getting wet and store separately from oxidizing agents and strong bases.