3,5-Dimethoxybenzoic acid

Basic Information

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CAS Number

1132-21-4

Molecular Formula

C9H10O4

Molecular Weight

182.17 g/mol

Basic Physical Properties

Melting Point

182.0 to 187.0 deg-C

Boiling Point

275.56°C (rough estimate)

Flash Point

138.9℃

Refractive Index

1.4500 (estimate)

SMILES

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COC1=CC(=CC(=C1)C(=O)O)OC

InChI

InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)

InChIKey

IWPZKOJSYQZABD-UHFFFAOYSA-N

LogP

1.4020000000000001

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

169

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NSC 8514
CS-W001251
AI3-52341
HY-W001251
AB00230
NSC43744
D1534
Z104476958
3,5-Dimethoxybenzoic acid, 97%
Benzoic acid, 3,5-dimethoxy-
AC-7307
EN300-20119
NSC8514
EINECS 214-473-8
SY005660
InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11
BS-3988
FT-0614640
1132-21-4
DTXSID3061550
3,5-DimethoxybenzoicAcid
CHEMBL488610
NS00015784
BDBM50494898
F3098-1920
W-108623
3,5-DIMETHOXYBENZOIC ACID
AM20060486
3,5-dimethoxy-benzoic acid
3,5-dimethoxy benzoic acid
AK-968/40724491

MDL Number

MFCD00002502

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 3,5-Dimethoxybenzoic acid (CAS: 1132-21-4)?

3,5-Dimethoxybenzoic acid (CAS: 1132-21-4) is a crystalline solid with a molecular weight of approximately 188.16 g/mol. It has a melting point of 225-227°C and a pKa of about 4.1. The acid is moderately soluble in water and ethanol, but less soluble in other organic solvents. It is chemically reactive, especially towards nucleophiles and bases.

How is 3,5-Dimethoxybenzoic acid (CAS: 1132-21-4) typically synthesized?

3,5-Dimethoxybenzoic acid is typically synthesized by the methylation of 3,5-dihydroxybenzoic acid using a methylating agent like methyl iodide in the presence of a base such as sodium hydroxide. The reaction is carried out in an aprotic solvent like dimethylformamide (DMF) to achieve a high yield and selectivity.

What industries use 3,5-Dimethoxybenzoic acid (CAS: 1132-21-4)?

3,5-Dimethoxybenzoic acid (CAS: 1132-21-4) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, polymers as a monomer or intermediate, and in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3,5-Dimethoxybenzoic acid (CAS: 1132-21-4)?

When handling 3,5-Dimethoxybenzoic acid (CAS: 1132-21-4), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be performed in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials, and proper disposal methods should be followed according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.