2-Hydroxy-m-anisaldehyd

o-Vanillin

HCID 8991CAS 148-53-8
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
COc1cccc(C=O)c1O
InChIKey
JJVNINGBHGBWJH-UHFFFAOYSA-N
Summenformel
C8H8O3
Durchschnittliche Molmasse
152,15 g/mol
Monoisotopische Masse
152,04734412

Überblick

Ortho-vanillin is a member of the class of benzaldehydes that is salicylaldehyde substituted by a methoxy group at position 3. It has a role as an antimutagen and a plant metabolite. It is a member of guaiacols and a member of benzaldehydes. It is functionally related to a salicylaldehyde.

Namen und Bezeichner

Bevorzugter Name
o-Vanillin
IUPAC
2-hydroxy-3-methoxybenzaldehyde
Lokaler Name
2-Hydroxy-m-anisaldehyd
Englischer Name
3-Methoxysalicylaldehyde
Summenformel
C8H8O3
Molmasse
152.15

Namen und Synonyme

2-Hydroxy-3-methoxybenzaldehyde148-53-8O-VANILLIN2-Vanillin6-FormylguaiacolOrthovanillineBenzaldehyde, 2-hydroxy-3-methoxy-6-Formyl-2-methoxyphenol3-Methoxy-2-hydroxybenzaldehydem-Anisaldehyde, 2-hydroxy-Oxy-2 methoxy-3 benzaldehyde008LR748FI
Weitere Namen anzeigen
Ortho vanillinO-VANILLIN (2-HYDROXY-3-METHOXYBENZALDEHYDE)NC 005NSC 2150
NSC-2150DTXSID5022011o-vanilinRefChem:87386DTXCID902011205-715-33-Methoxysalicylaldehydeortho-vanillin

Datenbank-Bezeichner

CAS
148-53-8
PubChem CID
8991
DTXSID
DTXSID5022011
ChEMBL
CHEMBL13859
ChEBI
CHEBI:78339
UNII
008LR748FI
EC Number
205-715-3
Nikkaji
J45.622E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Plant Oils and Extracts
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.00103 [mmHg]
Physical DescriptionLight yellow crystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
40 · 40-42 °C (lit.)
Siedepunkt
265 · 265-266 °C (lit.)
Dichte
1.2143 · 1.2143 (rough estimate)
Brechungsindex
1.4945 · 1.4945 (estimate)
Flammpunkt
230 °F · >230 °F
storage temp.
30 °C · Store below +30°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 4.5% (3 of 66) of reports.

Danger

H302 (65.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzaldehyde, 2-hydroxy-3-methoxy-

Benzaldehyde, 2-hydroxy-3-methoxy-: 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 mild eye irritant; Causes convulsions in intraperitoneal lethal-dose studies of guinea pigs and mice; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See Vanillin.
Hazard Classes and CategoriesAcute Tox. 4 (65.2%)

Sicherheitsdaten

F
10-23
wgk
3
tsca
TSCA listed
hs_code
29124900
RTECS-Nr.
CU6530000
risk_code
22-36/37/38

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzaldehyde, 2-hydroxy-3-methoxy-: ACTIVE

Anwendungen

VerwendenA positional isomer of Vanillin. o-Vanillin is a more potent antioxidant than Vanillin.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A member of the class of benzaldehydes that is salicylaldehyde substituted by a methoxy group at position 3.

Zugehörige Reaktionen

110
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…