4-(Diethoxymethyl)benzaldehyde

HCID 595993CAS 81172-89-6

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Grundinformationen

Standard-SMILES: CCOC(OCC)c1ccc(C=O)cc1
InChIKey: HTMXMFARWHNJDW-UHFFFAOYSA-N
Summenformel: C12H16O3
Durchschnittliche Molmasse: 208,25 g/mol
Monoisotopische Masse: 208,10994437

Namen und Bezeichner

Bevorzugter Name: 4-(Diethoxymethyl)benzaldehyde
IUPAC: 4-(diethoxymethyl)benzaldehyde
Englischer Name: 4-(Diethoxymethyl)benzaldehyde
Summenformel: C12H16O3
Molmasse: 208.25

Namen und Synonyme

4-(Diethoxymethyl)benzaldehyde81172-89-6Benzaldehyde, 4-(diethoxymethyl)-DTXSID60344331RefChem:515777DTXCID70295406676-828-7MFCD00010217Terephthalaldehyde Mono(diethyl Acetal)terephthaldehyde monodiethylacetalTerephthaldehyde mono(diethyl acetal)4-(diethoxymethy)benzaldehyde

Weitere Namen anzeigen

4-(DiethoxymethyLTerephthaldehyde MonoTEREPHTHALALDEHYDE DIETHYL ACETAL4-(Diethoxymethyl)benzaldehyde 98%Terephthaldehyde diethyl monoacetalTerephthaldehydeMonoDiethylacetal97%Terephthaldialdehyd monodiethylacetal

4-(diethyoxymethyl)benzaldehydeTerephthaldialdehyde monodiethyl acetalAKOS015838696Terephthalaldehyde mono-(diethyl acetal)CS-0013357EN300-1717699F2191-01574-diethoxymethylbenzaldehyde

Datenbank-Bezeichner

CAS: 81172-89-6
PubChem CID: 595993
DTXSID: DTXSID60344331
EC Number: 676-828-7
Nikkaji: J534.175B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 15
Formalladung: 0
Komplexität: 168

Physikochemische Eigenschaften

Siedepunkt: 89 · 89-93 °C (7 mmHg)
Dichte: 1.047 g/mL · 1.047 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.506(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: liquid (clear)
Farbe: clear deep yellow
Wasserlöslichkeit: soluble in alcohol, chlorinated solvents and toluene. Decomposes in water.
BRN: 4293872 · 4293872
InChI: InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11-7-5-10(9-13)6-8-11/h5-9,12H,3-4H2,1-2H3
InChIKey: HTMXMFARWHNJDW-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(C(OCC)OCC)C=C1
CAS Datenbank: 81172 · 81172-89-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.