2,3-Dimethoxybenzaldehyd
2,3-Dimethoxybenzaldehyde
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Grundinformationen
- CAS
86-51-1- Standard-SMILES
COc1cccc(C=O)c1OC- InChIKey
JIVGSHFYXPRRSZ-UHFFFAOYSA-N- Summenformel
- C9H10O3
- Durchschnittliche Molmasse
- 166,17 g/mol
- Monoisotopische Masse
- 166,06299418
Überblick
O-Veratraldehyde is a dimethoxybenzene.
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Dimethoxybenzaldehyde
- IUPAC
- 2,3-dimethoxybenzaldehyde
- Lokaler Name
- 2,3-Dimethoxybenzaldehyd
- Englischer Name
- 2,3-Dimethoxybenzaldehyde
- Summenformel
- C9H10O3
- Molmasse
- 166.17
Namen und Synonyme
2,3-Dimethoxybenzaldehydeo-VeratraldehydeBenzaldehyde, 2,3-dimethoxy-5,6-DimethoxybenzaldehydeVERATRALDEHYDE, O-EINECS 201-677-78ALP3SY00LNSC 403661AI3-00141NSC-6314NSC-51953UNII-8ALP3SY00L
Weitere Namen anzeigen
2-VERATRALDEHYDE4-DiethoxybenzeneAKOS BBS-00003161OrthoveratraldehydeO-VERATRIC ALDEHYDE2,3-DimethoxybenzaldLABOTEST-BB LT009323253-DiMethoxybenzaldehyde
NSC-403661DTXSID802353332-Hydroxy-3-methoxybenzaldehyde, methyl etheroVeratraldehydeoVeratraldehyde (8CI)RefChem:81799o-Veratraldehyde (8CI)Benzaldehyde, 2,3dimethoxy
Datenbank-Bezeichner
- CAS
86-51-1- PubChem CID
- 66581
- DTXSID
DTXSID80235333- ChEMBL
CHEMBL3039102- ChEBI
CHEBI:228697- UNII
- 8ALP3SY00L
- EC Number
- 201-677-7
- Nikkaji
- J96.722J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 147
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Benzaldehydes
Physical DescriptionOff-white or yellow moist crystalline powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 48 · 48-52 °C (lit.)
- Siedepunkt
- 137 °C/12 · 137 °C/12 mmHg (lit.)
- Dichte
- 1.1708 · 1.1708 (rough estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Solubility in methanol with almost transparency.
- Aggregatzustand
- Crystalline Powder, Crystals, and/or Chunks
- Farbe
- Off-white to beige
- BRN
- 908264 · 908264
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzaldehyde, 2,3-dimethoxy-
Benzaldehyde, 2,3-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Vanillin, Syringaldehyde, and 2-Methoxybenzaldehyde.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29124900
- RTECS-Nr.
- CU5732000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Beschreibung2,3-Dimethoxybenzaldehyde, commonly known as o-veratrol, is an important aromatic aldehyde compound. Its structure is characterized by two methoxy substituents and one aldehyde group at the ortho (2 and 3) positions of the benzene ring. Due to its unique chemical structure, this compound occupies a central position in the field of pharmaceutical intermediates, especially as a key precursor in the synthesis of berberine. Furthermore, it possesses significant biological activities, such as antifungal and antiviral effects.
Verwenden2,3-Dimethoxybenzaldehyde possess antifungal activity of redox-active benzaldehydes that target cellular antioxidation. It could function as chemosensitizing agents in concert with conventional drugs to improve antifungal efficacy.
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