2-Methoxy-4,5-dimethylbenzoic acid

Basic Information

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CAS Number

91061-36-8

Molecular Formula

C10H12O3

Molecular Weight

180.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

147 ºC (ethanol )

Boiling Point

328.6±37.0 ºC (760 Torr),

Density

1.136±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

130.6±20.0 ºC,

SMILES

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CC1=CC(=C(C=C1C)OC)C(=O)O

InChI

InChI=1S/C10H12O3/c1-6-4-8(10(11)12)9(13-3)5-7(6)2/h4-5H,1-3H3,(H,11,12)

InChIKey

HATRJAVAPAPTBH-UHFFFAOYSA-N

LogP

2.01024

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

191

Synonyms & References

English

AMY28086
DTXSID30577270
2-methoxy-4,5-dimethyl-benzoic acid
2-Methoxy-4,5-dimethylbenzoic acid
AKOS005151367
EN300-2001552
CS-0168204
AS-61850
SB73990
MFCD14538071
91061-36-8
2-Methoxy-4,5-dimethylbenzoicacid
A928322
W17034
Benzoic acid, 2-methoxy-4,5-dimethyl-
2-methoxy-4,5-dimethylbenzoic acid

MDL Number

MFCD14538071

FAQ

What are the physical and chemical properties of 2-Methoxy-4,5-dimethylbenzoic acid (CAS: 91061-36-8)?

2-Methoxy-4,5-dimethylbenzoic acid is a solid compound with a crystalline form. Its molecular weight is approximately 195.23 g/mol. It has a low solubility in water (0.5 g/L) but is more soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly towards bases and reducing agents. It is prone to esterification and can undergo typical carboxylic acid reactions.

How is 2-Methoxy-4,5-dimethylbenzoic acid (CAS: 91061-36-8) typically synthesized?

2-Methoxy-4,5-dimethylbenzoic acid is typically synthesized through a multi-step process involving the methylation of benzene followed by esterification. The initial step involves the bromination of toluene to form 4-bromotoluene, which is then methylated using methyl iodide and sodium hydride. The resulting 4-methylbenzyl bromide undergoes an esterification reaction with methanol and acetic anhydride to produce the final product. The reaction is catalyzed by sulfuric acid, and the overall process yields approximately 85% of the desired compound.

What industries use 2-Methoxy-4,5-dimethylbenzoic acid (CAS: 91061-36-8)?

2-Methoxy-4,5-dimethylbenzoic acid has applications in various industries, particularly in the pharmaceutical and chemical sectors. It is used as an intermediate in the synthesis of certain drugs and as a component in analytical chemistry for sensor applications. In the chemical industry, it is used in the production of dyes and pigments. Additionally, it may be used in the synthesis of organic semiconductors and as a reagent in polymer chemistry.

What precautions should be taken when handling 2-Methoxy-4,5-dimethylbenzoic acid (CAS: 91061-36-8)?

Handling 2-Methoxy-4,5-dimethylbenzoic acid requires appropriate personal protective equipment (PPE). Wearing gloves, goggles, and a lab coat is essential to prevent skin and eye contact. The compound should be handled in a well-ventilated area or a fume hood due to its potential to release harmful fumes. In case of a spill, it should be cleaned up immediately with a suitable absorbent material, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed information on proper handling and disposal. Storage should be in a cool, dry place, away from incompatible materials.