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HCID 77535Erstellt: 26. Oktober 2026

3,4-Dihydroxy-5-methoxybenzaldehyd

3,4-DIHYDROXY-5-METHOXYBENZALDEHYDE · 3,4-dihydroxy-5-methoxy benzyaldehyde · 5-hydroxyvanillin · AKOS BBS-00007007 · 5-Hydroxyvanilline · 5-Methoxyprotocatechualdehyde · 5-methoxy-protocatechualdehyd · Protocatechualdehyde, 5-methoxy-

https://huagongshe.com/de/chemical/77535

Molekülstruktur von 3,4-Dihydroxy-5-methoxybenzaldehyd

Identifikatoren & physikalische Daten

CAS No.3934-87-0
SummenformelC8H8O4
Durchschnittliche Molmasse168,15 g/mol
Monoisotopische Masse168,04225873 g/mol
SMILESCOc1cc(C=O)cc(O)c1O
InChIKeyRRKMWVISRMWBAL-UHFFFAOYSA-N
PubChem CID77535
ChEMBLCHEMBL1982490
EC No.223-513-3
DTXSIDDTXSID30192563
Lokaler Name3,4-Dihydroxy-5-methoxybenzaldehyd

Chemische & physikalische Eigenschaften

XLogP-0,3
Polarare Oberfläche (TPSA)66,8
H-Brücken-Donoren2
H-Brücken-Akzeptoren4
Frei drehbare Bindungen2
Schwere Atome12
Formalladung0
Komplexität159
Endocrine DisruptorsPotential endocrine disrupting compound
Schmelzpunkt131-134°C
Siedepunkt339.9±37.0 °C(Predicted)
Dichte1.378±0.06 g/cm3(Predicted)
Lagerbedingungenunder inert gas (nitrogen or Argon) at 2-8°C
pKa (Säurekonstante)7.63±0.23(Predicted)
Aggregatzustandsolid
FarbeLight grey/ brown
Kosmetik-Inhaltsstoffe FunktionenHAIR DYEING
InChIInChI=1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3
InChIKeyRRKMWVISRMWBAL-UHFFFAOYSA-N
SMILESC(=O)C1=CC(OC)=C(O)C(O)=C1
LogP (Verteilungskoeffizient)1.050 (est)
CAS Datenbank3934-87-0(CAS DataBase Reference)
NIST chemische Informationen3,4-Dihydroxy-5-methoxybenzaldehyde(3934-87-0)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)3
Zollcode2912490090
RTECS-Nr.CU5620000
R-Sätze (R)36/37/38
GefahrensymboleXi
Sicherheitshinweise (S)26-36
Lagerklasse11 - Combustible Solids
GefahrenklasseEye Irrit. 2Skin Irrit. 2STOT SE 3

Anwendungen & Verwendung

Verwenden

3,4-Dihydroxy-5-methoxybenzaldehyde may be used for the preparation of 3,4-dihydroxy-6-methoxy-β-nitrostyrene and 5-hydroxyconiferyl alcohol.