디에틸 에틸(1-메틸부틸)말로네이트

Diethyl ethyl(1-methylbutyl)malonate

HCID 95450CAS 76-72-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCC(C)C(CC)(C(=O)OCC)C(=O)OCC
InChIKey: ZQGOJSLHZOKIBV-UHFFFAOYSA-N
분자식: C14H26O4
평균 분자량: 258.35 g/mol
단동위원소 질량: 258.18310931

이름 및 식별자

우선 이름: Diethyl ethyl(1-methylbutyl)malonate
IUPAC: diethyl 2-ethyl-2-pentan-2-ylpropanedioate
현지명: 디에틸 에틸(1-메틸부틸)말로네이트
영어명: Diethyl ethyl(1-methylbutyl)malonate
분자식: C14H26O4
분자량: 258.35

이름 및 동의어

Diethyl ethyl(1-methylbutyl)malonate6LWT1P8JURPropanedioic acid, ethyl(1-methylbutyl)-, diethyl esterNSC-10824DTXSID601018955EINECS 200-981-7Malonic acid, ethyl(1-methylbutyl)-, diethyl esterNSC 10824AI3-11057EC 200-981-7MALONIC ACID, ETHYL(.ALPHA.-METHYLBUTYL)-, DIETHYL ESTERPROPANEDIOIC ACID, 2-ETHYL-2-(1-METHYLBUTYL)-, 1,3-DIETHYL ESTER

이름 더 보기

디에틸에틸(1-메틸부틸)말로네이트DIETHYL ETHYL (1-METHYLBUTYL) MALONATEdiethyl 2-ethyl-2-pentan-2-yl-propanedioateETHYL(1-METHYLBUTYL)-MALONIC ACID DIETHYL ESTEREthyl(1-methylbutyl)propanedioic acid diethyl ester2-Ethyl-2-(1-methylbutyl)-malonic acid diethyl esterPropanedioic acid,2-ethyl-2-(1-Methylbutyl)-, 1,3-diethyl ester

RefChem:587218DTXCID701476966MALONIC ACID, ETHYL(ALPHA-METHYLBUTYL)-, DIETHYL ESTER200-981-776-72-2Diethyl 2-ethyl-2-(pentan-2-yl)malonateETHYL 2-ETHYL-2-(1-METHYLBUTYL)MALONATEdiethyl 2-ethyl-2-pentan-2-ylpropanedioate

데이터베이스 식별자

CAS: 76-72-2
PubChem CID: 95450
DTXSID: DTXSID601018955
UNII: 6LWT1P8JUR
EC Number: 200-981-7
Nikkaji: J122.039J

물성

구조 계산 물성

XLogP: 4
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 10
무거운 원자 수: 18
형식 전하: 0
복잡도: 255

물리화학적 성질

끓는 점: 120 · 120-122 °C(Press: 8 Torr)
밀도: 0.986 g/cm3 · 0.986 g/cm3
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 기름
색상: 투명 무색
EPA: Propanedioic acid, ethyl(1-methylbutyl)-, diethyl ester (76-72-2)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Propanedioic acid, ethyl(1-methylbutyl)-, diethyl ester

REACH registered substance: Diethyl ethyl(1-methylbutyl)malonate (EC: 200-981-7)

Hazard Classes and CategoriesAcute Tox. 4 (40%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도Diethyl Ethyl(1-methylbutyl)malonate is used as a reagent in electrochemistry with urea to synthesize ureides from esters.

상·하류 제품 정보

하류 제품

펜토바비탈

공급사31 곳

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