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HCID 74709Erstellt: 26. Oktober 2026

3-Hydroxy-4,5-dimethoxybenzoesure

5-HYDROXYVERATRIC ACID · AKOS 227-04 · RARECHEM AL BE 0681 · 3,4-Dimethoxygallic acid · 3-Hydroxy-4,5-dimethoxybenzoicaci · 4,5-DIMETHOXY-3-HYDROXYBENZOIC ACID · 3-HYDROXY-4,5-DIMETHOXYBENZOIC ACID · 3,4-DIMETHOXY-5-HYDROXYBENZOIC ACID

https://huagongshe.com/de/chemical/74709

Molekülstruktur von 3-Hydroxy-4,5-dimethoxybenzoesure

Identifikatoren & physikalische Daten

CAS No.1916-08-1
SummenformelC9H10O5
Durchschnittliche Molmasse198,17 g/mol
Monoisotopische Masse198,05282342 g/mol
SMILESCOc1cc(C(=O)O)cc(O)c1OC
InChIKeyWFIBQVFJXGQICQ-UHFFFAOYSA-N
PubChem CID74709
ChEMBLCHEMBL85234
ChEBICHEBI:88603
EC No.217-630-9
DTXSIDDTXSID90172689
Lokaler Name3-Hydroxy-4,5-dimethoxybenzoesure

Chemische & physikalische Eigenschaften

XLogP1
Polarare Oberfläche (TPSA)76
H-Brücken-Donoren2
H-Brücken-Akzeptoren5
Frei drehbare Bindungen3
Schwere Atome14
Formalladung0
Komplexität205
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section130.13 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Schmelzpunkt197-198°C
Siedepunkt374.2±42.0 °C(Predicted)
Dichte1.335±0.06 g/cm3(Predicted)
LagerbedingungenSealed in dry,2-8°C
pKa (Säurekonstante)4.23±0.10(Predicted)
BRN2115310
InChIInChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)
InChIKeyWFIBQVFJXGQICQ-UHFFFAOYSA-N
SMILESC(O)(=O)C1=CC(OC)=C(OC)C(O)=C1
CAS Datenbank1916-08-1(CAS DataBase Reference)
NIST chemische Informationen3-Hydroxy-4,5-dimethoxybenzoic acid(1916-08-1)

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 3 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
R-Sätze (R)36/37/38
GefahrensymboleXi
Sicherheitshinweise (S)26-36
3-Hydroxy-4,5-Dimethoxybenzoic Acid｜Huagongshe