Glykolaldehyd

Glycolaldehyde

HCID 756

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 141-46-8
Standard-SMILES: O=CCO
InChIKey: WGCNASOHLSPBMP-UHFFFAOYSA-N
Summenformel: C2H4O2
Durchschnittliche Molmasse: 60,05 g/mol
Monoisotopische Masse: 60,02112937

Überblick

Glycolaldehyde is the glycolaldehyde derived from ethylene glycol. The parent of the class of glycolaldehydes. It has a role as a human metabolite and a fundamental metabolite. It is a tautomer of a (Z)-1,2-ethenediol.

Namen und Bezeichner

Bevorzugter Name: Glycolaldehyde
IUPAC: 2-hydroxyacetaldehyde
Lokaler Name: Glykolaldehyd
Englischer Name: GLYCOLALDEHYDE
Summenformel: C2H4O2
Molmasse: 60.05

Namen und Synonyme

glycolaldehyde2-Hydroxyacetaldehydehydroxyacetaldehyde141-46-8DioseGlycolic aldehydeAcetaldehyde, hydroxy-GLYCOALDEHYDEMethylol formaldehydeMonomethylolformaldehyde2-hydroxyethanalMethylolformaldehyde

Weitere Namen anzeigen

glycollaldehydehydroxyethanalGLYCOLICALDEHYDEAcetaldehyde, hydroxy-(9CI)HOCH2CHO

W0A0XPU08UDTXSID4074693CHEBI:17071GLYCOLLIC ALDEHYDENSC-67935RefChem:143912DTXCID4034570205-484-9

Datenbank-Bezeichner

CAS: 141-46-8
PubChem CID: 756
DTXSID: DTXSID4074693
ChEMBL: CHEMBL3884509
ChEBI: CHEBI:17071
UNII: W0A0XPU08U
EC Number: 205-484-9
Nikkaji: J2.537B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,9
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 4
Formalladung: 0
Komplexität: 18

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Monosaccharides and Derivatives

SpringerMaterials PropertiesCoriolis coupling

Melting Point97 °C

Vapor Pressure4.97 [mmHg]

Physical Description · 2 Einträge

Transparent colorless solid; [Merck Index]

Solid

Physikochemische Eigenschaften

Schmelzpunkt: 97 °C · 97°C
Siedepunkt: 35.05 °C · 35.05°C (rough estimate)
Dichte: 1.366 · 1.3660
Brechungsindex: 1.4772 · 1.4772
pka: 13.34 · 13.34±0.10(Predicted)
Henry's Law Constant: 3.9 · 3.9×102 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
LogP: -1.604 · -1.604 (est)
EPA chemische Informationen: Acetaldehyde, hydroxy- (141-46-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationChemical: Acetaldehyde, hydroxy-

Hazards SummaryCauses other changes of the kidney, ureter, and bladder in oral lethal-dose studies of rats; [RTECS] May cause irritation; [Riedel-de Haen MSDS]

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H317

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsNeuron

Cellular LocationsMitochondria

Metabolite PathwaysHypophosphatasia

Verwendung und Herstellung

UsesThe simplest possible monosaccharide; Used as a starting material and reagent in organic synthesis; [Merck Index]

Anwendungen · 1 Eintrag

VerwendenGlycolaldehyde is derived from 2,2-Diethoxyethanol (D441940), which is used in the synthesis of neooxazolomycin, part of the oxazolomycin family of antibiotics. Also used in the synthesis of pyrimidine based inhibitors of phosphodiesterase 7 (PDE7).