Ethylpropiolat
Ethyl propiolate
Grundinformationen
- CAS
623-47-2- 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
- Formalladung
- 0
- Komplexität
- 106
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
- Löslichkeit
- Miscible with alcohol.
- Aggregatzustand
- Liquid
- Wichte
- 0.968 · 0.968
- Farbe
- Clear colorless to pale yellow
- Wasserlöslichkeit
- miscible
- Merck
- 14 · 14,3846
- BRN
- 878250 · 878250
- Dielectric constant
- 7 · 7.0
- InChI
- 1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3
- InChIKey
- FMVJYQGSRWVMQV-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C#C
- CAS Datenbank
- 623 · 623-47-2(CAS DataBase Reference)
- NIST chemische Informationen
- Ethyl propiolate(623-47-2)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
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
- safety_code
- 26-36-37/39-16-33-29-24-23
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
UsesUsed in organic synthesis and as a peptide coupling reagent; [Merck Index]
Anwendungen
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
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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.
Zugehörige Reaktionen
710
Notizen zur Verbindung
Wird geladen…