디에틸말론산디에틸에스테르

Diethyl diethylmalonate

HCID 66165CAS 77-25-8

부분 구조 검색 유사 구조 찾기

기본 정보

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

이름 및 식별자

우선 이름: Diethyl diethylmalonate
IUPAC: diethyl 2,2-diethylpropanedioate
현지명: 디에틸말론산디에틸에스테르
영어명: Diethyl diethylmalonate
분자식: C11H20O4
분자량: 216.27

이름 및 동의어

Diethyl diethylmalonateDiethyl 2,2-diethylmalonatePropanedioic acid, diethyl-, diethyl esterDiethylmalonic esterDiethylmalonic acid diethyl esterDiethylmalonate diethyl esterDiethyl 3,3-pentanedicarboxylateDiethylmalonic acid, diethyl esterUNII-CEH13944YQMalonic acid, diethyl-, diethyl esterCEH13944YQNSC 8710

이름 더 보기

디에틸말론산디에틸에스테르다이에틸 다이에틸말론산DEDEMETHYL DIETHYLMALONATEDiethyldiethylmalonatDIETHYL DIETHYLMALOTEDithyl2,2-diethylmalonate

NSC-8710EINECS 201-016-2AI3-05640DTXSID00588072,2-Diethylpropanedioic acid 1,3-diethyl esterDIETHYL DIETHYLMALONATE [MI]Propanedioic acid, 2,2-diethyl-, 1,3-diethyl esterRefChem:133411

데이터베이스 식별자

CAS: 77-25-8
PubChem CID: 66165
DTXSID: DTXSID0058807
UNII: CEH13944YQ
EC Number: 201-016-2
Nikkaji: J36.622F

물성

구조 계산 물성

XLogP: 2.5
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: 199

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

끓는 점: 228 · 228-230 °C (lit.)
밀도: 0.99 g/mL · 0.99 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.423(lit.)
인화점: 202 °F · 202 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올(소량)에 용해됨
물리적 상태: 기름
색상: 투명 무색
Specific Gravity: 0.988 · 0.988 (20/4℃)
Merck: 14 · 14,3823
InChI: 1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3
InChIKey: ZKBBUZRGPULIRN-UHFFFAOYSA-N
SMILES: CCOC(=O)C(CC)(CC)C(=O)OCC
LogP: 2.463 · 2.463 (est)
EPA: Propanedioic acid, diethyl-, diethyl ester (77-25-8)

화학적 성질

clear colorless liquid. Quite powerful, fruity, Pear-like odor.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Propanedioic acid, diethyl-, diethyl ester

Status: Active Update: 03-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18889

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

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29171900
safety_code: 24/25
기존화학 물질: KE-10454
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanedioic acid, 2,2-diethyl-, 1,3-diethyl ester: INACTIVE

응용 분야

용도Diethyl Diethylmalonate is an intermediate in the synthesis of Barbital (B118500), a prototype of the barbiturate hypnotics.

상·하류 제품 정보

상류 원료

말론산 디에틸

공급사50 곳

三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]

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

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]

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

湖北万得化工有限公司15377098680 15377098680 · [email protected]

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