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2-Methoxy-4,5-dimethylbenzoic acid(CAS: 91061-36-8)

2-Methoxy-4,5-dimethylbenzoic acid
CAS Number

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Basic Information

Molecular Formula
C10H12O3
Molecular Weight
180.2 g/mol

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,

Chemical Identifiers

SMILES
CC1=CC(=C(C=C1C)OC)C(=O)O
InChIKey
HATRJAVAPAPTBH-UHFFFAOYSA-N

Database References

MDL Number
MFCD14538071

FAQ

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.
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.
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.
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.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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