Description

4-tert-Butyl-3-methoxybenzoic acid (CAS: 79822-46-1) is a high-purity organic compound with the molecular formula C₁₂H₁₆O₃. This fine chemical is widely utilized in pharmaceutical research, agrochemical development, and advanced material synthesis due to its unique structural properties. The compound features a tert-butyl group and a methoxy substituent on a benzoic acid backbone, making it a versatile intermediate for derivatization and functionalization. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC), with detailed analytical reports (COA) available upon request. Supplied as a white to off-white crystalline powder, it is packaged under inert conditions to guarantee stability and longevity. Ideal for lab-scale experiments or bulk manufacturing, this reagent is a critical building block for synthesizing specialized compounds in medicinal chemistry and material science.

Properties

• CAS Number: 79822-46-1
• Complexity: 230
• IUPAC Name: 4-tert-butyl-3-methoxy-benzoic acid
• InChI: InChI=1S/C12H16O3/c1-12(2,3)9-6-5-8(11(13)14)7-10(9)15-4/h5-7H,1-4H3,(H,13,14)
• InChI Key: CSJQLIMNCLFPLZ-UHFFFAOYSA-N
• Exact Mass: 208.109944368
• Molecular Formula: C12H16O3
• Molecular Weight: 208.25
• SMILES: CC(C)(C)C1=C(C=C(C=C1)C(=O)O)OC
• Topological: 46.5
• Monoisotopic Mass: 208.109944368
• Synonyms: 79822-46-1, 4-TERT-BUTYL-3-METHOXYBENZOIC ACID, DTXSID20508593, DTXCID70459400, 616-742-9, 4-(tert-butyl)-3-methoxybenzoic acid, 3-Methoxy-4-tert-butylbenzoic acid, 3-Methoxy-4-t-butylbenzoic acid, MFCD06656116, 3-Methoxy-4-t-Butyl-Benzoic acid, 4-tert-butyl-3-methoxy-benzoic acid, SCHEMBL1542321, CSJQLIMNCLFPLZ-UHFFFAOYSA-N, 3-Methoxy-4-tert-butylbenozic acid, 4-(tert-butyl)-3-methoxybenzoicacid, SBB051436, AKOS015851429, AC-9494, FM37955, PS-8037, SY015476, DB-006481, ST50828076

4-tert-Butyl-3-methoxybenzoic acid serves as a key intermediate in the synthesis of bioactive molecules, particularly in pharmaceutical research targeting anti-inflammatory and antimicrobial agents. Its tert-butyl and methoxy groups enhance lipophilicity, making it valuable for drug formulation studies. Researchers also employ it in polymer chemistry to modify aromatic polyesters for improved thermal stability. Additionally, it finds use in agrochemicals as a precursor for herbicidal compounds.

Safety and Hazards

GHS Hazard Statements

• H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
• H411 (95%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P270, P273, P301+P317, P330, P391, and P501

Hazard Classes and Categories

• Acute Tox. 4 (95%)
• Aquatic Chronic 2 (95%)

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