디에틸이소부틸말로네이트

Diethyl isobutylmalonate

HCID 25047CAS 10203-58-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C(CC(C)C)C(=O)OCC
InChIKey: OFRFGNSZCYDFOH-UHFFFAOYSA-N
분자식: C11H20O4
평균 분자량: 216.27 g/mol
단동위원소 질량: 216.13615912

이름 및 식별자

우선 이름: Diethyl isobutylmalonate
IUPAC: diethyl 2-(2-methylpropyl)propanedioate
현지명: 디에틸이소부틸말로네이트
영어명: Diethyl isobutylmalonate
분자식: C11H20O4
분자량: 216.27

이름 및 동의어

DIETHYL ISOBUTYLMALONATE10203-58-4Diethyl 2-isobutylmalonatePropanedioic acid, (2-methylpropyl)-, diethyl esterPropanedioic acid, 2-(2-methylpropyl)-, 1,3-diethyl esterMalonic acid, isobutyl-, diethyl ester95WL9E8A77EINECS 233-504-61,3-diethyl 2-(2-methylpropyl)propanedioateNSC 68522AI3-05627NSC-68522

이름 더 보기

디에틸이소부틸말로네이트Isobutyl MalonateDiethyl isobutylMaloDiethyl isobutylmaloteEthyl isobutyl malonateDiethylIsobutylmalonate>DIETHYL (2-METHYLPROPYL)MALONATEDiethyl isobutylmalonate - [D72144]

DTXSID7064998ETHYL 2-ETHOXYCARBONYL-4-METHYLVALERATERefChem:587232DTXCID8032700233-504-6Isobutylmalonic acid diethyl esterdiethyl 2-(2-methylpropyl)propanedioateMFCD00026869

데이터베이스 식별자

CAS: 10203-58-4
PubChem CID: 25047
DTXSID: DTXSID7064998
UNII: 95WL9E8A77
EC Number: 233-504-6
Nikkaji: J134.654G

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 8
무거운 원자 수: 15
형식 전하: 0
복잡도: 193

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 110 · 110-112°C 10mm
밀도: 0 · 0,97 g/cm3
굴절률: 1.422 · 1.4220
인화점: 225 °C · 225°C
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 13.01 · 13.01±0.46(Predicted)
Specific Gravity: 0.97 · 0.97
색상: 투명 무색 ~ 담황색
BRN: 1103030 · 1103030
NIST: Diethyl-iso-butyl malonate(10203-58-4)
EPA: Propanedioic acid, (2-methylpropyl)-, diethyl ester (10203-58-4)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: Propanedioic acid, (2-methylpropyl)-, diethyl ester

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

tsca: TSCA listed
rtecs: TY1850200
HS 번호: 38220090
safety_code: 24/25

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanedioic acid, 2-(2-methylpropyl)-, 1,3-diethyl ester: ACTIVE

응용 분야

용도Diethyl Isobutylmalonate is used as a reagent in the synthesis of quinoline-based zinc metallo-aminopeptidase inhibitors which have antimalarial activity.