2,3-Dimethoxybenzaldehyde (86-51-1),2,3-Dimethoxybenzaldehyde (86-51-1) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
2,3-Dimethoxybenzaldehyde
CAS No.:
86-51-1
Molecular Structure:
Formula:
C₉H₁₀O₃
Molecular Weight:
166.18
Synonyms:
o-Veratraldehyde(6CI,7CI,8CI);Benzaldehyde,2,3-dimethoxy-;5,6-Dimethoxybenzaldehyde;NSC403661;NSC 51953;NSC 6314;
EINECS:
201-677-7
Density:
1.114 g/cm³
Melting Point:
48-52 °C(lit.)
Boiling Point:
266.7 °C at 760 mmHg
Flash Point:
105.8 °C
Appearance:
white to brown crystalline powder
Hazard Symbols:
Xi
Risk Codes:
36/37/38
Safety Description:
26-36 Details

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Chemistry

Structure of 2,3-Dimethoxybenzaldehyde (CAS NO.86-51-1):

IUPAC Name: 2,3-Dimethoxybenzaldehyde
Molecular Formula: C₉H₁₀O₃
Molar mass: 166.1739 g/mol
Density: 1.114 g/cm³
Melting Point: 48-52 °C(lit.)
Flash Point: 105.8 °C
Boiling Point: 266.7 °C at 760 mmHg
Sensitive: air sensitive
Index of Refraction: 1.534
Molar Refractivity: 46.36 cm³
Molar Volume: 149.1 cm³
Surface Tension: 36.1 dyne/cm
Vapour Pressure: 0.00849 mmHg at 25 °C
XLogP3: 1.1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 166.062994
MonoIsotopic Mass: 166.062994
Topological Polar Surface Area: 35.5
Heavy Atom Count: 12
Canonical SMILES: COC1=CC=CC(=C1OC)C=O
InChI: InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3
InChIKey: JIVGSHFYXPRRSZ-UHFFFAOYSA-N
EINECS: 201-677-7
Product Categories: Aromatic Aldehydes & Derivatives (substituted); BenzaldehydeDerivative; Benzaldehyde; Aldehydes; C9; Carbonyl Compounds

Uses

2,3-Dimethoxybenzaldehyde (CAS NO.86-51-1) can be used as the materials for the organic synthesis intermediates. It also can be used in pharmaceutical industry for the synthesis of berberine and others.

Production

2,3-Dimethoxybenzaldehyde has been derived from the reaction 2- methoxy-3-hydroxybenzaldehyde (o-vanillin) with dimethyl sulfate .

Toxicity Data With Reference

orl-rat TDLo:7.3 mg/kg

BIPBU* Biological & pharmaceutical bulletin. 24 (2001),1277.

Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: CU5732000
Hazard Note: Irritant
HS Code: 29124900
A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

2,3-Dimethoxybenzaldehyde (CAS NO.86-51-1) is also named as AI3-00141 ; NSC 403661 ; Benzaldehyde, 2,3-dimethoxy- (9CI) ; o-Veratraldehyde (8CI) . 2,3-Dimethoxybenzaldehyde (CAS NO.86-51-1) is white to brown crystalline powder.