Ethyl isobutyrylacetate (HCID 81583)

이름 및 식별자

우선 이름: Ethyl isobutyrylacetate
IUPAC: ethyl 4-methyl-3-oxopentanoate
영어명: Ethyl isobutyrylacetate
분자식: C8H14O3
분자량: 158.2

이름 및 동의어

Ethyl isobutyrylacetateEthyl 4-methyl-3-oxopentanoate4-methyl-3-oxo-pentanoic acid ethyl esterEthyl isobutyroylacetateM3WMK56MNBNSC-62029.gamma.,.gamma.-Dimethylacetoacetic acid ethyl esterValeric acid, 4-methyl-3-oxo-, ethyl esterEINECS 230-491-9AI3-37917DTXSID00221758NSC 62029

이름 더 보기

ETHYL ISOYRYLACETATEISOBUTYRYLACETIC ACIDETHYL ISOBUTYROYL ACETATEEthylIsobutyrylacetate>EthylisobutyrulpentanoateEthyl isobutyrylacetate 95%Ethyl isobutyrylacetate,99%

3-OXO-4-METHYLPENTANOIC ACID ETHYL ESTERPENTANOIC ACID,4-METHYL,3-OXO,ETHYL ESTERRefChem:138961Ethyl alpha-isobutyroylacetateEthyl .alpha.-isobutyroylacetateDTXCID30144249gamma,gamma-Dimethylacetoacetic acid ethyl ester230-491-9

데이터베이스 식별자

CAS: 7152-15-0
PubChem CID: 81583
DTXSID: DTXSID00221758
UNII: M3WMK56MNB
EC Number: 230-491-9
Nikkaji: J56.056A

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 11
형식 전하: 0
복잡도: 149

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: -9 °C · -9 °C (lit.)
끓는 점: 173 °C · 173 °C (lit.)
밀도: 0.98 g/mL · 0.98 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.425(lit.)
인화점: 128 °F · 128 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름과 메탄올에 용해됩니다.
물리적 상태: 액체
산도 계수 (pKa): 10.61 · 10.61±0.46(Predicted)
색상: 무색투명~연황색
BRN: 636726 · 636726
InChI: InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3
InChIKey: XCLDSQRVMMXWMS-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CC(=O)C(C)C
NIST: 4 · Pentanoic acid, 4-methyl-3-oxo-, ethyl ester(7152-15-0)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 3272 3/PG 3
HS 번호: 29183000
risk_code: 10
safety_code: 16
포장분류: III
위험 등급: 3
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Ethyl Isobutyrylacetate is used in the synthesis of piperazine derivatives as possible multireceptor atypical antipsychotics, affecting dopamine and serotonin receptor properties . Also used in the synthesis of pyrazinecarboxamide DGAT1 (diacylglycerol acyltransferase 1) inhibitors used in the treatment of obesity.

상·하류 제품 정보

상류 원료

하류 제품

4-ISOPROPYL-1,2,3-THIADIAZOLE-5-CARBOXYLIC ACID ETHYL 4-ISOPROPYL-1,2,3-THIADIAZOLE-5-CARBOXYLATE Pentanoic acid, 3-hydroxy-4-methyl-, methyl ester 4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-methylsulfonylpyrimidine

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

연결된 노트

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Ethyl isobutyrylacetate

기본 정보