2-Hydroxy-4,5-dimethoxybenzaldehyde

HCID 10986908CAS 14382-91-3

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Grundinformationen

Standard-SMILES: COc1cc(O)c(C=O)cc1OC
InChIKey: XIKGRPKDQDFXLF-UHFFFAOYSA-N
Summenformel: C9H10O4
Durchschnittliche Molmasse: 182,17 g/mol
Monoisotopische Masse: 182,0579088

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxy-4,5-dimethoxybenzaldehyde
IUPAC: 2-hydroxy-4,5-dimethoxybenzaldehyde
Englischer Name: 2-Hydroxy-4,5-diMethoxybenzaldehyde
Summenformel: C9H10O4
Molmasse: 182.17

Namen und Synonyme

2-hydroxy-4,5-dimethoxybenzaldehyde14382-91-3DTXSID20450826RefChem:87407DTXCID70401646840-864-3MFCD00598182Benzaldehyde, 2-hydroxy-4,5-dimethoxy-4,5-dimethoxy-2-hydroxybenzaldehyde2-hydroxy-4,5-dimethoxy-benzaldehydeSCHEMBL333221CHEMBL3753940

Weitere Namen anzeigen

2-hydroxy-4，5-dimethoxybenzenemethylaldehyde

SCHEMBL29730976XIKGRPKDQDFXLF-UHFFFAOYSA-N2-hydroxy 4,5dimethoxybenzaldehyde2-Hydroxy-45-dimethoxybenzaldehydePAA382912-hydroxy 4,5-dimethoxybenzaldehyde3,4-dimethoxy-6-hydroxybenzaldehydeEBC-12431

Datenbank-Bezeichner

CAS: 14382-91-3
PubChem CID: 10986908
DTXSID: DTXSID20450826
ChEMBL: CHEMBL3753940
EC Number: 840-864-3
Nikkaji: J1.082.808B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 171

Physikochemische Eigenschaften

Schmelzpunkt: 105 °C · 105 °C
Siedepunkt: 315.8 · 315.8±37.0 °C(Predicted)
Dichte: 1.234 · 1.234±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 8.3 · 8.30±0.23(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.