3,4-Bis(benzyloxy)benzaldehyd

3,4-Bis(benzyloxy)benzaldehyde

HCID 79526CAS 5447-02-9

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Grundinformationen

Standard-SMILES: O=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIKey: XDDLXZHBWVFPRG-UHFFFAOYSA-N
Summenformel: C21H18O3
Durchschnittliche Molmasse: 318,4 g/mol
Monoisotopische Masse: 318,12559443

Namen und Bezeichner

Bevorzugter Name: 3,4-Bis(benzyloxy)benzaldehyde
IUPAC: 3,4-bis(phenylmethoxy)benzaldehyde
Lokaler Name: 3,4-Bis(benzyloxy)benzaldehyd
Englischer Name: 3,4-Dibenzyloxybenzaldehyde
Summenformel: C21H18O3
Molmasse: 318.37

Namen und Synonyme

3,4-Dibenzyloxybenzaldehyde5447-02-93,4-Bis(benzyloxy)benzaldehyde3,4-bis(phenylmethoxy)benzaldehydeF36FJ659RXNSC 16747NSC-16747PROTOCATECHUALDEHYDE DIBENZYL ETHERBenzaldehyde, 3,4-dibenzyloxy-XDDLXZHBWVFPRG-UHFFFAOYSA-DTXSID10202871EINECS 226-662-2

Weitere Namen anzeigen

3,4-Dibenzyloxybenza4-Dibenzyloxybenzaldehyde3,4-benzyloxy benzaldehyde3,4-Dibenzyloxybenzaldhyde4,5-DIBENZYLOXYBENZALDEHYDEα,α'-Diphenylveratraldehyde3,4-Dibenzyloxybenzaldehyde>

3,4-DI(BENZYLOXY)BENZALDEHYDE.ALPHA.,.ALPHA.'-DIPHENYLVERATRALDEHYDERefChem:90980DTXCID40125362ALPHA,ALPHA'-DIPHENYLVERATRALDEHYDE226-662-2InChI=1/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2XDDLXZHBWVFPRG-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 5447-02-9
PubChem CID: 79526
DTXSID: DTXSID10202871
UNII: F36FJ659RX
EC Number: 226-662-2
Nikkaji: J149.832K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 7
Schwere Atome: 24
Formalladung: 0
Komplexität: 358

Physikochemische Eigenschaften

Schmelzpunkt: 91 · 91-94 °C (dec.) (lit.)
Siedepunkt: 492.4 · 492.4±35.0 °C(Predicted)
Dichte: 1.176 · 1.176±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Powder
Farbe: White to yellow
BRN: 1132811 · 1132811
InChI: InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey: XDDLXZHBWVFPRG-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)=C1
CAS Datenbank: 5447 · 5447-02-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 85.7% (6 of 7) of all reports.

Warning

H341 (14.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H410 (14.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 6 of 7 reports by companies.；There is 1 notification provided by 1 of 7 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.