268402

4-Isopropylbenzoic acid

≥96%

• Synonym(s): Cumic acid, Cuminic acid
• Linear Formula: (CH₃)₂CHC₆H₄CO₂H
• CAS Number: 536-66-3
• Molecular Weight: 164.20
• EC Number: 208-642-5
• MDL number: MFCD00002564
• UNSPSC Code: 12352100
• PubChem Substance ID: 24856271
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: ≥96%
• mp: 117-120 °C (lit.)
• solubility: alcohol: soluble(lit.); diethyl ether: soluble(lit.); sulfuric acid: soluble(lit.); water: slightly soluble(lit.)
• functional group: carboxylic acid
• SMILES string: CC(C)c1ccc(cc1)C(O)=O
• InChI: 1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
• InChI key: CKMXAIVXVKGGFM-UHFFFAOYSA-N

Description

Application

4-Isopropylbenzoic acid (cuminic acid) was used in the synthesis of three new triorganotin carboxylates bearing methyl, butyl and phenyl substituents at tin, respectively. The products were fully characterized by spectroscopic and thermal techniques, with regard to the coordination number of tin atom, in solution and in the solid state.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves