Ethylglyoxylat

Ethyl oxoacetate

HCID 70211CAS 924-44-7

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Grundinformationen

Standard-SMILES: CCOC(=O)C=O
InChIKey: DBPFRRFGLYGEJI-UHFFFAOYSA-N
Summenformel: C4H6O3
Durchschnittliche Molmasse: 102,09 g/mol
Monoisotopische Masse: 102,03169405

Überblick

Ethyl glyoxylate is the ethyl ester of glyoxylic acid. It is an ethyl ester and a glyoxylate ester.

Namen und Bezeichner

Bevorzugter Name: Ethyl oxoacetate
IUPAC: ethyl 2-oxoacetate
Lokaler Name: Ethylglyoxylat
Englischer Name: Ethyl glyoxalate
Summenformel: C4H6O3
Molmasse: 102.09

Namen und Synonyme

Ethyl glyoxylate924-44-7ethyl 2-oxoacetateEthyl oxoacetateAcetic acid, oxo-, ethyl esterIXX9MQ1J1Ioxoacetic acid ethyl esterAcetic acid, 2-oxo-, ethyl esterGlyoxylic acid, ethyl ester2-oxoacetic acid, ethyl esterEINECS 213-105-3NSC 49206

Weitere Namen anzeigen

Ethyl glyoxylate, 50% solution in toluene2-Oxoacetic acid ethyl esterEthyl acetaldehydeethyl 2-oxoethanoate

NSC-49206DTXSID6061282CHEBI:53275RefChem:596357DTXCID7048794213-105-3Ethyl glyoxalateGlyoxylic acid ethyl ester

Datenbank-Bezeichner

CAS: 924-44-7
PubChem CID: 70211
DTXSID: DTXSID6061282
ChEBI: CHEBI:53275
UNII: IXX9MQ1J1I
EC Number: 213-105-3
Nikkaji: J298.483K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 7
Formalladung: 0
Komplexität: 77

Physikochemische Eigenschaften

Siedepunkt: 110 °C · 110°C
Dichte: 1.03 g/mL · 1.03 g/mL at 20 °C
Brechungsindex: 1.475 · 1.4750
Flammpunkt: 7 °C · 7°C
storage temp.: Refrigerator
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Oil
Farbe: Clear Colorless
Wasserlöslichkeit: Immiscible with water.
BRN: 1209486 · 1209486
InChI: InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3
InChIKey: DBPFRRFGLYGEJI-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C=O
CAS Datenbank: 924 · 924-44-7(CAS DataBase Reference)
EPA chemische Informationen: Acetic acid, oxo-, ethyl ester (924-44-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (75%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P272, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P333+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 12 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 22-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/18142

Hazard Classes and CategoriesFlam. Liq. 2 (75%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1294 3/PG 2
hs_code: 29183000
risk_code: 11-38-43-48/20-63-65-67
hazard_code: F,Xn
safety_code: 36/37-62-16
hazard_class: 3
packing_group: II

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetic acid, 2-oxo-, ethyl ester: ACTIVE

Anwendungen · 1 Eintrag

VerwendenEthyl glyoxylate is widely used as an intermediate in the synthesis of pharmaceuticals (high reactivity of aldehyde function). It is used in the synthesis of a biodegradable polymer, poly(ethyl glyoxylate). It is actively involved in the Friedel-Crafts alkylation reactions with thiophenes to give the corresponding secondary alcohols.