Diethyl diallylmalonate

HCID 76664CAS 3195-24-2
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기본 정보

표준 SMILES
C=CCC(CC=C)(C(=O)OCC)C(=O)OCC
InChIKey
LYUUVYQGUMRKOV-UHFFFAOYSA-N
분자식
C13H20O4
평균 분자량
240.29 g/mol
단동위원소 질량
240.13615912

개요

Diethyl diallylmalonate is a fatty acid ester.

이름 및 식별자

우선 이름
Diethyl diallylmalonate
IUPAC
diethyl 2,2-bis(prop-2-enyl)propanedioate
영어명
Diethyl diallylmalonate
분자식
C13H20O4
분자량
240.3

이름 및 동의어

Diethyl diallylmalonate3195-24-2NSC-46842NSC-30683W2RBW7YAY9DTXSID00185785RefChem:587207DTXCID40108276221-696-4Diethyl 2,2-diallylmalonateDiallylmalonic acid diethyl esterdiethyl 2,2-bis(prop-2-enyl)propanedioate
이름 더 보기
diethyldiallylmalonatValproic Acid Impurity 19Diethyl diallylmalonate 98%Diethyl Diallylmalonate >DIETHYL DI-2-PROPENYLMALONATEdienepropyldiacidiethyl esterDiethyl-2-allyl-2-butenylmalonate
DIETHYLDIALLYLMALONATEMFCD00009126Malonic acid, diallyl-, diethyl esterSCHEMBL283884Diethyl 2,2-diallylpropanedioateLYUUVYQGUMRKOV-UHFFFAOYSA-NSC46842Propanedioic acid, di-2-propenyl-, diethyl ester

데이터베이스 식별자

CAS
3195-24-2
PubChem CID
76664
DTXSID
DTXSID00185785
ChEBI
CHEBI:188661
UNII
W2RBW7YAY9
EC Number
221-696-4
Nikkaji
J151.156D

물성

구조 계산 물성

XLogP
2.9
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
10
무거운 원자 수
17

물리화학적 성질

끓는 점
128 · 128-130 °C/12 mmHg (lit.)
밀도
0.994 g/mL · 0.994 g/mL at 25 °C (lit.)
증기압
4.266 Pa · 4.266Pa at 25℃
굴절률
20 · n20/D 1.446(lit.)
인화점
230 °F · >230 °F
저장 조건
Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Propanedioic acid, di-2-propenyl-, diethyl ester

Status: Cease Manufacture Update: 13-09-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6504

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
HS 번호
2917198090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

화학 및 산업

응용 분야 · 2건

용도Diethyl diallylmalonate is the starting material for enantioselective synthesis of carbocyclic nucleoside analogues. It is also used as Low catalyst loading in ring-closing metathesis reaction. Cationic nickel (with monodentate phosphoramidites and Wilkes azaphospholene as ligands) catalyzed cycloisomerisation of diethyl diallylmalonate has been reported.

일반 설명Low catalyst loading in ring-closing metathesis reaction of diethyl diallylmalonate has been reported. Cationic nickel (with monodentate phosphoramidites and Wilke′s azaphospholene as ligands) catalyzed cycloisomerisation of diethyl diallylmalonate has been reported.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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