Ethylpropiolat

Ethyl propiolate

HCID 12182CAS 623-47-2
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Grundinformationen

Standard-SMILES
C#CC(=O)OCC
InChIKey
FMVJYQGSRWVMQV-UHFFFAOYSA-N
Summenformel
C5H6O2
Durchschnittliche Molmasse
98,1 g/mol
Monoisotopische Masse
98,03677943

Überblick

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

Namen und Bezeichner

Bevorzugter Name
Ethyl propiolate
IUPAC
ethyl prop-2-ynoate
Lokaler Name
Ethylpropiolat
Englischer Name
Ethyl propiolate
Summenformel
C5H6O2
Molmasse
98.1

Namen und Synonyme

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt
9 °C · 9°C
Siedepunkt
120 °C · 120 °C (lit.)
Dichte
0.968 g/mL · 0.968 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.412(lit.)
Flammpunkt
74 °F · 74 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Sicherheitsdaten

wgk
3
ridadr
UN 3272 3/PG 3
hs_code
29161980
risk_code
10-36/37/38-36-11
hazard_code
Xi,F
hazard_note
Irritant

Chemie und Industrie

Verwendung und Herstellung

UsesUsed in organic synthesis and as a peptide coupling reagent; [Merck Index]
Anwendungen · 1 Eintrag

VerwendenHalogenated 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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]

Ergänzende Hinweise

DefinitionChEBI: 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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