Monoethyl malonate

HCID 70615CAS 1071-46-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)CC(=O)O
InChIKey
HGINADPHJQTSKN-UHFFFAOYSA-N
분자식
C5H8O4
평균 분자량
132.11 g/mol
단동위원소 질량
132.04225873

이름 및 식별자

우선 이름
Monoethyl malonate
IUPAC
3-ethoxy-3-oxopropanoic acid
영어명
Ethyl hydrogen malonate
분자식
C5H8O4
분자량
132.11

이름 및 동의어

Ethyl hydrogen malonate1071-46-1Monoethyl malonateE7Y7DZ2K8WDTXSID10147915RefChem:596216DTXCID9070406213-992-73-ethoxy-3-oxopropanoic acidmonoethyl malonic acidmono-Ethyl malonateDescarboxyl Febuxostat
이름 더 보기
3-ethoxy-3-oxopropanoate3-ethoxy-3-oxapropanoic aciden maLBROP-001hydrogen maLEthyl hydrogen malonMalonic acid 1-ethyl
(Ethoxycarbonyl)acetic acid3-ethoxy-3-oxo-propanoic acidMonoethyl hydrogen malonatemalonic acid monoethyl esterMFCD00020490malonic acid monoethylester2-(ethoxycarbonyl)acetic acidPropanedioic acid, monoethyl ester

데이터베이스 식별자

CAS
1071-46-1
PubChem CID
70615
DTXSID
DTXSID10147915
ChEBI
CHEBI:193957
UNII
E7Y7DZ2K8W
EC Number
213-992-7
Nikkaji
J21.761A

물성

구조 계산 물성

XLogP
0.3
극성 표면적
63.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
9

실험 및 물리화학적 성질

Melting Point47 - 50 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
-13 °C · -13°C(lit.)
끓는 점
106.5 °C/3 · 106.5 °C/3 mmHg (lit.)
밀도
1.119 g/mL · 1.119 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.435(lit.)
인화점
230 °F · >230 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

Yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 27-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21101
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

규제 정보

Regulatory InformationStatus: Active Update: 27-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21101

안전 데이터

wgk
3
HS 번호
29171900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

응용 분야

용도Ethyl Hydrogen Malonate has been shown to impair brain mitochondrial succinate and malate transport. It is also found in the extract of Hericum erinaceus mushroom which shows antitumor effects in tumo r-bearing mice.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

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