CAS 19455-23-3 Potassium Trimethylacetate (HCID 23662159)

기본 정보

CAS: 19455-23-3
표준 SMILES: CC(C)(C)C(=O)[O-].[K+]
InChIKey: WFMNHCSATCWAAQ-UHFFFAOYSA-M
분자식: C5H9KO2
평균 분자량: 140.22 g/mol

이름 및 식별자

우선 이름: Potassium Trimethylacetate
IUPAC: potassium 2,2-dimethylpropanoate
현지명: 칼륨트리메틸아세테이트
영어명: PotassiuM triMethylacetate
분자식: C5H11KO2
분자량: 142.24

이름 및 동의어

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

이름 더 보기

칼륨트리메틸아세테이트Pivalic acid potassiumSKL241pivalicacidpotassiumsalPotassiumtrimethylacetate,95%PotassiuM triMethylacetate, 95%PotassiuM triMethylacetate, 95%

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 40.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 82.9

물리화학적 성질

녹는점: 200 ℃ · ca 200℃
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO (약간 용해됨), 물(난용성)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
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]

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

HS 번호: 2915601990

화학 및 산업

응용 분야 · 2건

개요PotassiuM 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.

용도Potassium trimethylacetate is used as a intermediate for chemical research.