프로피오릭산에틸에스테르

Ethyl propiolate

HCID 12182CAS 623-47-2
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기본 정보

표준 SMILES
C#CC(=O)OCC
InChIKey
FMVJYQGSRWVMQV-UHFFFAOYSA-N
분자식
C5H6O2
평균 분자량
98.1 g/mol
단동위원소 질량
98.03677943

개요

Ethyl propiolate is the ethyl ester of prop-2-ynoic acid. It is an ethyl ester, a ynoate ester and a terminal acetylenic compound.

이름 및 식별자

우선 이름
Ethyl propiolate
IUPAC
ethyl prop-2-ynoate
현지명
프로피오릭산에틸에스테르
영어명
Ethyl propiolate
분자식
C5H6O2
분자량
98.1

이름 및 동의어

Ethyl propiolate623-47-2ethyl prop-2-ynoateEthyl acetylenecarboxylateETHYL PROPYNOATE(Ethoxycarbonyl)acetyleneNSC-60551W235G5U52SCHEBI:51740DTXSID80211359RefChem:596387DTXCID30133850
이름 더 보기
에틸프로피올레이트프로피오릭산에틸에스테르에틸 프로피올레이트EPLPropioLHC≡CCO2C2H5Ethyl propinateEthylPropiolate>
210-795-82-Propynoic acid, ethyl esterEthyl 2-propynoatePropiolic acid ethyl esterethyl propargylatePropargylic Acid Ethyl EsterPropiolic acid, ethyl esterMFCD00009184

데이터베이스 식별자

CAS
623-47-2
PubChem CID
12182
DTXSID
DTXSID80211359
ChEMBL
CHEMBL53384
ChEBI
CHEBI:51740
UNII
W235G5U52S
EC Number
210-795-8
Nikkaji
J137.953D

물성

구조 계산 물성

XLogP
1
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
7

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionColorless liquid with a pungent odor; mp = 9 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
9 °C · 9°C
끓는 점
120 °C · 120 °C (lit.)
밀도
0.968 g/mL · 0.968 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.412(lit.)
인화점
74 °F · 74 °F
저장 조건
2 · 2-8°C
화학적 성질 · 1건

Ethyl propiolate is a clear colorless to pale yellow liquid that is soluble in ethanol, ether and chloroform. It an important organic chemical raw material and pharmaceutical intermediate. Ethyl propargylate is obtained by oxidation of propargyl alcohol to propargylic acid followed by esterification.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Propynoic acid, ethyl ester

Status: Active Update: 06-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28015

Ethyl acetylenecarboxylate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin, respiratory tract, and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (98.1%)

안전 데이터

wgk
3
ridadr
UN 3272 3/PG 3
HS 번호
29161980
risk_code
10-36/37/38-36-11
hazard_code
Xi,F
safety_code
26-36-37/39-16-33-29-24-23

화학 및 산업

용도 및 제조

UsesUsed in organic synthesis and as a peptide coupling reagent; [Merck Index]
응용 분야 · 1건

용도Halogenated derivatives were used as substrates for direct, asymmetric alkynylation of cyclic -ketoesters using chiral phase-transfer catalysts. Also employed in a one-pot , four-component synthesis of benzene-1,2,3,5-tetracarboxylates promoted by Ph3P.

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

추가 설명

정의ChEBI: Ethyl propiolate is the ethyl ester of prop-2-ynoic acid. It is a ynoate ester, a terminal acetylenic compound and an ethyl ester.

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