Guaiacylglycerol-beta-guaiacyl ether

HCID 6424189CAS 7382-59-4

Grundinformationen

Standard-SMILES
COc1cc(C(O)C(CO)Oc2ccccc2OC)ccc1O
InChIKey
PPZSOILKWHVNNS-UHFFFAOYSA-N
Summenformel
C17H20O6
Durchschnittliche Molmasse
320,3 g/mol

Überblick

Guaiacylglycerol-beta-guaiacyl ether is a glycerol ether in which guaiacyl and guaiacylglycerol subunits are joined by an arylglycerol-beta-aryl (beta-O-4) linkage. It is functionally related to a guaiacol.

Namen und Bezeichner

Bevorzugter Name
Guaiacylglycerol-beta-guaiacyl ether
IUPAC
1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol

Namen und Synonyme

7382-59-4GUAIACYLGLYCEROL-BETA-GUAIACYL ETHERGGBGE1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediolGuaiacylglycerol-beta-O-4-guaiacyl etherCHEBI:536501-HMPMPP cpdRefChem:9225681-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol;1-(4-hydroxy-3-(methyloxy)phenyl)-2-((2-(methyloxy)phenyl)oxy)propane-1,3-diol1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diolGuaiacyl glycero-beta-guaiacyl ether
Weitere Namen anzeigen
GGGEGuaiacylglycerol-|A-guaiacyl EtherMFCD000601442-Methoxy-4-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]phenol1-(3-Methoxy-4-hydroxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol2-(2-Methoxyphenoxy)-3-(3-methoxy-4-hydroxyphenyl)propane-1,3-diolGuaiacylglycerol-B-guaiacyl ether1-[4-hydroxy-3-(methyloxy)phenyl]-2-{[2-(methyloxy)phenyl]oxy}propane-1,3-diol

Datenbank-Bezeichner

CAS
7382-59-4
PubChem CID
6424189
ChEBI
CHEBI:53650
EC Number
804-088-9
Nikkaji
J208.557G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
Polarare Oberfläche (TPSA)
88,4 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
7
Schwere Atome
23

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAquatic Acute 1 (100%)

Zugehörige Reaktionen

11

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