Diethyl acetonedicarboxylate (HCID 66045)

이름 및 식별자

우선 이름: Diethyl acetonedicarboxylate
IUPAC: diethyl 3-oxopentanedioate
영어명: Diethyl 1,3-acetonedicarboxylate
분자식: C9H14O5
분자량: 202.2

이름 및 동의어

Diethyl 1,3-acetonedicarboxylate105-50-0Diethyl 3-oxopentanedioateDiethyl 3-oxoglutaratePentanedioic acid, 3-oxo-, diethyl esterDiethyl acetonedicarboxylate3-Oxopentanedioic acid diethyl esterAcetonedicarboxylic acid diethyl esterEthyl acetonedicarboxylateEthyl 3-oxoglutarateDiethyl acetone dicarboxylateDiethyl 1,3-acetone dicarboxylate

이름 더 보기

DIETHYL 3-KETOGLUTARATEAcetonedicarboxylicDiethyl-3-oxo-pentanDiethyl-3-oxoglutaratDiethyl β-oxoglutarateacetone-1,3-dicarboxyL

3-Oxoglutaric acid, diethyl esterDiethyl .beta.-oxoglutarateNSC 9013Glutaric acid, 3-oxo-, diethyl esterDiethyl beta-oxoglutarateQ0CC9NL00VDiethyl .beta.-ketoglutaratePentanedioic acid, 3-oxo-, 1,5-diethyl ester

데이터베이스 식별자

CAS: 105-50-0
PubChem CID: 66045
DTXSID: DTXSID1059317
UNII: Q0CC9NL00V
EC Number: 203-302-2
Nikkaji: J134.662H

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 69.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 8
무거운 원자 수: 14
형식 전하: 0
복잡도: 199

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 125 °C · 125 °C
끓는 점: 250 °C · 250 °C (lit.)
밀도: 1.113 g/mL · 1.113 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.440(lit.)
인화점: 187 °F · 187 °F
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
산도 계수 (pKa): 9.66 · 9.66±0.46(Predicted)
물리적 상태: 액체
색상: 무색~담황색 투명
수용성: 10 g/L · 10g/L(20℃)
BRN: 640146 · 640146
InChI: 1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3
InChIKey: ZSANYRMTSBBUCA-UHFFFAOYSA-N
SMILES: CCOC(=O)CC(=O)CC(=O)OCC
NIST: 3 · Pentanedioic acid, 3-oxo-, diethyl ester(105-50-0)
EPA: 3 · Pentanedioic acid, 3-oxo-, diethyl ester (105-50-0)

화학적 성질

clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Pentanedioic acid, 3-oxo-, diethyl ester

Pentanedioic acid, 3-oxo-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2810
HS 번호: 29183000
risk_code: 36/37/38
hazard_code: F,Xi
safety_code: 23-24/25-36-26
기존화학 물질: KE-27626
위험 참고 사항: Flammable/Moisture Sensitive
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPentanedioic acid, 3-oxo-, 1,5-diethyl ester: ACTIVE

응용 분야 · 1건

용도Diethyl 1,3-acetonedicarboxylate was used in the synthesis of novel pyrido[4,3,2-de]quinoline, isoquinolino[6,5,4,3-cde] quinoline and pyrazomycin. It was used as starting reagent in the synthesis of (±)-thienamycin, potent β-lactam antibiotic.

상·하류 제품 정보

상류 원료

하류 제품

4, 6-DIHYDROXYNICOTINIC ACID ETHYL ESTER 6-클로로-4-에톡시니코틴산 ETHYL 6-CHLORO-4-ETHOXYPYRIDINE-3-CARBOXYLATE URACIL-4-ACETIC ACID 4,6-Dichloronicotinic acid Ethyl 4,6-dichloronicotinate 메틸(3-)펜탄1,3,5트리올 에틸4,6-디히드록시-2-(트리플루오로메틸)니코티네이트 4,6-dihydroxypyridazine-3-carboxylicacid 3-아미노펜탄디오산 4,6-디클로로-3-피리딘메탄올 1,5-디하이드록시-펜탄-3-원

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

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

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

T&W GROUP021-61551611 13296011611 · [email protected]

연결된 노트

불러오는 중…

Diethyl acetonedicarboxylate

기본 정보