3,4,5-Trimethoxybenzaldehyde

Basic Information

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CAS Number

86-81-7

Molecular Formula

C10H12O4

Molecular Weight

196.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

75.0 to 78.0 deg-C

Boiling Point

165°C/10mmHg

Density

1.2166 (rough estimate)

Flash Point

163-165℃/10mm

Solubility

methanol: 0.1 g/mL, clear

Refractive Index

1.5550 (estimate)

SMILES

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COC1=CC(=CC(=C1OC)OC)C=O

InChI

InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3

InChIKey

OPHQOIGEOHXOGX-UHFFFAOYSA-N

LogP

1.5248999999999997

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

169

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Air Sensitive

Synonyms & References

English

BRN 0395163
SY010811
MFCD00003364
4-08-00-02719 (Beilstein Handbook Reference)
AI3-36673
A841837
Benzaldehyde, 3,4,5-trimethoxy-
DTXSID4058948
BBL007764
Q15634093
CS-W010602
3,4,5-trimethoxy benzaldehyde
3, 4, 5-trimethoxybenzaldehyde
NSC 16692
F3099-6595
SCHEMBL96635
AC-11732
NSC-778227
FT-0614154
3,4,5-trimethoxybenzaldehyd
3,4,5-Trimethoxybenzoic Acid,(S)
3,4,5-TRIMETHOXYBENZALDEHYDE
Trimethoprim Intermediates
UNII-WL86YD76N6
STR03224
STK498479
LS-25170
W-104057
Z104472688
EN300-19082
BENZALDEHYDE,3,4,5-TRIMETHOXY-

MDL Number

MFCD00003364

Customs Code

29124900

FAQ

What is 3,4,5-Trimethoxybenzaldehyde (CAS: 86-81-7)?

3,4,5-Trimethoxybenzaldehyde (CAS: 86-81-7) is an aromatic organic compound with the chemical formula C10H12O4. It contains three methoxy groups (-OCH3) and a benzaldehyde functional group. This compound is known for its aromaticity, moderate solubility in organic solvents, and potential applications in various chemical fields.

What are the main uses of 3,4,5-Trimethoxybenzaldehyde (CAS: 86-81-7)?

3,4,5-Trimethoxybenzaldehyde (CAS: 86-81-7) is primarily used in pharmaceutical research as a precursor for the synthesis of bioactive compounds. It also finds applications in the fragrance and flavor industry due to its aromatic properties. Additionally, it is utilized in organic synthesis and as a research reagent for chemical studies.

Is 3,4,5-Trimethoxybenzaldehyde (CAS: 86-81-7) safe?

3,4,5-Trimethoxybenzaldehyde (CAS: 86-81-7) is generally considered safe when handled properly. However, it should be treated with care, as it may cause irritation to the skin and eyes. Protective gloves, goggles, and ventilation are recommended. Safety data sheets (SDS) should be consulted for detailed handling guidelines and exposure limits.

How should 3,4,5-Trimethoxybenzaldehyde (CAS: 86-81-7) be stored?

3,4,5-Trimethoxybenzaldehyde (CAS: 86-81-7) should be stored in a cool, dry, and well-ventilated place, away from light. It is best kept in a sealed container in a refrigerator at 2–8°C to maintain stability. Avoid exposure to moisture and air to prevent degradation.