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3,5-Bis(2-methyl-2-propanyl)benzoic acid(CAS: 16225-26-6)

3,5-Bis(2-methyl-2-propanyl)benzoic acid
CAS Number

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Basic Information

Molecular Formula
C15H22O2
Molecular Weight
234.34 g/mol

Physical Properties

Melting Point
173-175 °C (lit.)
Boiling Point
314.3℃ at 760 mmHg
Flash Point
155.1℃
Water Solubility
Insoluble in water.

Chemical Identifiers

SMILES
CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C
InChIKey
NCTSLPBQVXUAHR-UHFFFAOYSA-N

Database References

MDL Number
MFCD00082727
Beilstein Registry Number
981248

FAQ

3,5-Bis(2-methyl-2-propanyl)benzoic acid is a solid with a crystalline form. It has a molecular weight of approximately 250.38 g/mol. Solubility in water is low, around 0.1 g/L. Chemically, it is relatively stable but can react with strong bases to form its salts. It is less reactive towards acids and is often used in synthetic organic reactions.
3,5-Bis(2-methyl-2-propanyl)benzoic acid is typically synthesized via the Friedel-Crafts alkylation of benzoic acid with 2-methyl-2-propanol. The reaction is catalyzed by aluminum chloride, and under these conditions, the stereochemistry at the 3 and 5 positions of the aromatic ring is controlled to yield the desired product with high selectivity.
3,5-Bis(2-methyl-2-propanyl)benzoic acid is used in the pharmaceutical industry for the synthesis of certain drug candidates. It is also utilized in the polymer industry as a monomer and in the production of certain organic semiconductors. Additionally, it finds applications in the development of sensors and as a reagent in organic synthesis.
When handling 3,5-Bis(2-methyl-2-proanyl)benzoic acid, it is recommended 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 a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate chemical clean-up kits. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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