Potassium Trimethylacetate

HCID 23662159

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Grundinformationen

CAS: 19455-23-3
Standard-SMILES: CC(C)(C)C(=O)[O-].[K+]
InChIKey: WFMNHCSATCWAAQ-UHFFFAOYSA-M
Summenformel: C5H9KO2
Durchschnittliche Molmasse: 140,22 g/mol

Namen und Bezeichner

Bevorzugter Name: Potassium Trimethylacetate
IUPAC: potassium 2,2-dimethylpropanoate
Englischer Name: PotassiuM triMethylacetate
Summenformel: C5H11KO2
Molmasse: 142.24

Namen und Synonyme

19455-23-3potassium trimethylacetateRefChem:868177842-247-4potassium pivalateMFCD00671345potassium;2,2-dimethylpropanoatePivalic acid potassium saltPotassium 2,2-dimethylpropanoateC5H9KO22,2-Dimethylpropionic Acid Potassium SaltSCHEMBL2349136

Weitere Namen anzeigen

Pivalic acid potassiumSKL241pivalicacidpotassiumsalPotassiumtrimethylacetate,95%PotassiuM triMethylacetate, 95%PotassiuM triMethylacetate, 95%

Potassium 2,2-DimethylpropionateAKOS003052756AS-60502SY073914P2354D70697potassiumpivalateTrimethylacetic Acid Potassium Salt

Datenbank-Bezeichner

CAS: 19455-23-3
PubChem CID: 23662159
EC Number: 842-247-4
Nikkaji: J1.102.979E

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 82,9

Physikochemische Eigenschaften

Schmelzpunkt: 200 ℃ · ca 200℃
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Water (Sparingly)
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: InChI=1S/C5H10O2.K.H/c1-5(2,3)4(6)7;;/h1-3H3,(H,6,7);;
InChIKey: QYJDGHIWRLSICV-UHFFFAOYSA-N
SMILES: C(C)(C)(C)C(=O)O.[KH]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Sicherheitsdaten

hs_code: 2915601990

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungPotassiuM triMethylacetate, 95% (KP) is a reactive monocarboxylic acid that can be synthesized from the reaction of diethanolamine with potassium halides. KP has been shown to react with amines and form urea derivatives, which can be used for cross-coupling reactions. These reactions are catalyzed by palladium-based catalysts. KP is also used as an intermediate in the production of trimerization reagents, such as triethylamine and tripropylamine, which are used in fabricating polyurethane foam. Potassium pivalate is also an effective dose for the synthesis of pyrazole rings from carboxylates. This process involves a trimerization reaction between three molecules of KP, followed by elimination of water and decarboxylation to produce pyrazole ring. Gel permeation chromatography is often applied to purify this product.

VerwendenPotassium trimethylacetate is used as a intermediate for chemical research.