3-Benzyloxy-4-methoxybenzaldehyde

NSC 43750 · NSC 196547 · AKOS 236-92 · AKOS BBS-00003177 · O-BENZYLISOVANILLIN · BENZYL ISO-VANILLIN · 3-Benzyloxy-4-methox · Isovanillin benzyl ether

https://huagongshe.com/de/chemical/80671

Molekülstruktur von 3-Benzyloxy-4-methoxybenzaldehyde

Identifikatoren & physikalische Daten

CAS No.	6346-05-0
Summenformel	C15H14O3
Durchschnittliche Molmasse	242,27 g/mol
Monoisotopische Masse	242,09429431 g/mol
SMILES	COc1ccc(C=O)cc1OCc1ccccc1
InChIKey	VQVQZFHUXRSRBZ-UHFFFAOYSA-N
PubChem CID	80671
EC No.	228-752-7
DTXSID	DTXSID10212879

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	18
Formalladung	0
Komplexität	248
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	61-64 °C (lit.)
Siedepunkt	120 °C / 5mmHg
Dichte	1.1515 (rough estimate)
Brechungsindex	1.5570 (estimate)
Lagerbedingungen	Inert atmosphere,2-8°C
Löslichkeit	Dichloromethane, Ethyl Acetate, Methanol
Aggregatzustand	Solid
Farbe	Pale Yellow
BRN	794627
InChI	InChI=1S/C15H14O3/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey	VQVQZFHUXRSRBZ-UHFFFAOYSA-N
SMILES	C(=O)C1=CC=C(OC)C(OCC2=CC=CC=C2)=C1
CAS Datenbank	6346-05-0(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29124990
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

3-Benzyloxy-4-methoxybenzaldehyde was used in the synthesis of (+)-9-benzyloxy-α-dihydrotetrabenazine. It was also used in total synthesis of (-)-galipeine.