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HCID 94653Erstellt: 26. Oktober 2026

3-[4-(tert-Butyl)phenoxy]benzaldehyd

Einecs 274-109-9 · 3-(4-Tert-butylphenoxy)benzandehyde · 3-(4-TERT-BUTYLPHENOXY)BENZALDEHYDE · 3-(4-tert-Butylphenoxy)benzaldehyde,99% · 3-(4-tert-Butylphenoxy)benzaldehyde 98% · 3-[4-(1,1-Dimethylethyl)phenoxy]benzaldehyde · Benzaldehyde, 3-[4-(1,1-dimethylethyl)phenoxy]-

https://huagongshe.com/de/chemical/94653

Molekülstruktur von 3-[4-(tert-Butyl)phenoxy]benzaldehyd

Identifikatoren & physikalische Daten

CAS No.69770-23-6
SummenformelC17H18O2
Durchschnittliche Molmasse254,32 g/mol
Monoisotopische Masse254,13067982 g/mol
SMILESCC(C)(C)c1ccc(Oc2cccc(C=O)c2)cc1
InChIKeyYZIHNHLGGMSWAD-UHFFFAOYSA-N
PubChem CID94653
EC No.274-109-9
DTXSIDDTXSID5022300
Lokaler Name3-[4-(tert-Butyl)phenoxy]benzaldehyd

Chemische & physikalische Eigenschaften

XLogP5,1
Polarare Oberfläche (TPSA)26,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen4
Schwere Atome19
Formalladung0
Komplexität284
Siedepunkt152 °C/0.4 mmHg (lit.)
Dichte0.984 g/mL at 25 °C (lit.)
Brechungsindexn20/D 1.57(lit.)
Flammpunkt>230 °F
Aggregatzustandsolid
InChI1S/C17H18O2/c1-17(2,3)14-7-9-15(10-8-14)19-16-6-4-5-13(11-16)12-18/h4-12H,1-3H3
InChIKeyYZIHNHLGGMSWAD-UHFFFAOYSA-N
SMILESCC(C)(C)c1ccc(Oc2cccc(C=O)c2)cc1

Sicherheit & Vorschriften

GHS-EinstufungWarningH400 (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.
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Wassergefährdungsklasse (WGK)3
UN-TransportnummerUN 3082 9 / PGIII
Lagerklasse10 - Combustible liquids
GefahrenklasseAquatic Acute 1

Anwendungen & Verwendung

Verwenden

3-(4-tert-Butylphenoxy)benzaldehyde was used in high-throughput parallel synthesis of library compounds for early drug discovery. It was also used in purification platform developed by ArQule that is based on reverse phase high performance liquid chromatography separation and mass directed fractionation.