Diethyl dimethylmalonate

HCID 15382CAS 1619-62-1

기본 정보

표준 SMILES: CCOC(=O)C(C)(C)C(=O)OCC
InChIKey: UELKSYXXNGHTSE-UHFFFAOYSA-N
분자식: C9H16O4
평균 분자량: 188.22 g/mol
단동위원소 질량: 188.10485899

이름 및 식별자

우선 이름: Diethyl dimethylmalonate
IUPAC: diethyl 2,2-dimethylpropanedioate
영어명: Diethyl dimethylmalonate
분자식: C9H16O4
분자량: 188.22

이름 및 동의어

DIETHYL DIMETHYLMALONATE1619-62-1Propanedioic acid, dimethyl-, diethyl esterDTXSID70167270EINECS 216-582-6NSC 28462AI3-28493RefChem:587210DTXCID6089761216-582-6InChI=1/C9H16O4/c1-5-12-7(10)9(3,4)8(11)13-6-2/h5-6H2,1-4HDiethyl 2,2-dimethylmalonate

이름 더 보기

DiethyledimethylmalonateDIETHYL DIMETHYLMALONATE-12Diethyl dimethylmalonate 97%Diethyl dimethylmalonate,97%16-Dimethyl 1,6-dimethyl malonateDimethylmalonic Acid Diethyl Ester

diethyl 2,2-dimethylpropanedioateMFCD000091281,3-diethyl 2,2-dimethylpropanedioateMalonic acid, dimethyl-, diethyl esterDiethyl dimethylpropanedioateDiethyl2,2-dimethylmalonate2,2-Dimethyl-malonic acid diethyl esterSCHEMBL1562023

데이터베이스 식별자

CAS: 1619-62-1
PubChem CID: 15382
DTXSID: DTXSID70167270
EC Number: 216-582-6
Nikkaji: J103.800A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 13
형식 전하: 0
복잡도: 176

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: -30.4 °C · -30.4°C
끓는 점: 192 °C · 192 °C (lit.)
밀도: 0.991 g/mL · 0.991 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.412(lit.)
인화점: 160 °F · 160 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색의
InChI: 1S/C9H16O4/c1-5-12-7(10)9(3,4)8(11)13-6-2/h5-6H2,1-4H3
InChIKey: UELKSYXXNGHTSE-UHFFFAOYSA-N
SMILES: CCOC(=O)C(C)(C)C(=O)OCC

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 43 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29171900
risk_code: 22-52/53
hazard_code: Xn
safety_code: 24/25-61
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

일반 설명Diethyl dimethylmalonate forms adducts with α,α,α′,α′-tetraaryl-1,3-dioxolane-4,5-dimethanol based titanium catalysts.

상·하류 제품 정보

상류 원료

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

연결된 노트

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