Description

4-Tert-butylcyclohexane-1-carboxylic acid (CAS No. 943-29-3) is a high-purity organic compound with the molecular formula C₁₁H₂₀O₂. This cyclohexane derivative features a tert-butyl group at the 4-position and a carboxylic acid functional group, making it a valuable intermediate in organic synthesis and pharmaceutical research. Available in various isomeric forms, including cis- and trans-configurations, this compound is characterized by its stability and versatility in chemical transformations. Ideal for researchers and scientists, our product undergoes rigorous quality control to ensure ≥98% purity (HPLC/GC). Suitable for use in catalysis, material science, and fine chemical synthesis. Packaged in amber glass bottles under inert atmosphere to ensure long-term stability.

Properties

• CAS Number: 943-29-3
• Complexity: 183
• IUPAC Name: 4-tert-butylcyclohexanecarboxylic acid
• InChI: InChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
• InChI Key: QVQKEGYITJBHRQ-UHFFFAOYSA-N
• Exact Mass: 184.146329876
• Molecular Formula: C11H20O2
• Molecular Weight: 184.27
• SMILES: CC(C)(C)C1CCC(CC1)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 184.146329876
• Synonyms: cis-4-tert-Butylcyclohexanecarboxylic acid, 4-tert-Butylcyclohexane-1-carboxylic acid, 611-163-8, 678-174-8, 943-29-3, trans-4-tert-Butylcyclohexanecarboxylic acid, 5451-55-8, 4-tert-Butylcyclohexanecarboxylic acid, 943-28-2, trans-4-(tert-Butyl)cyclohexanecarboxylic acid, 4-(tert-butyl)cyclohexanecarboxylic acid, trans-4-tert-Butylcyclohexanoic acid, Cyclohexanecarboxylicacid, 4-(1,1-dimethylethyl)-, cis-, Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, cis-, Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, trans-, MFCD00466237, cis-4-tert-Butylcyclohexane carboxylic acid, Cis-4-(tert-butyl)cyclohexanecarboxylic acid, Cyclohexanecarboxylic acid, 4-tert-butyl-, cis-, Cyclohexanecarboxylic acid, 4-tert-butyl-, trans-, 4-tert-Butylcyclohexanecarboxylic acid #, Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, MFCD00042622, MFCD08276286, 4-tert-butylcyclohexane carboxylic acid, ChemDiv2_003455, trans-4-(dimethylethyl)cyclohexanecarboxylic acid, SCHEMBL503482, SCHEMBL1835961, SCHEMBL3514603, SCHEMBL5697616, CHEBI:87689, (1S,4S)-4-TERT-BUTYLCYCLOHEXANE-1-CARBOXYLIC ACID, DTXSID70241408, DTXSID301259837, HMS1378N01, 4-t-butylcyclohexanecarboxylic acid, NSC52180, NSC52181, 4-tert-butylcyclohexancarboxilic acid, 4-tert-butylcyclohexylcarboxylic acid, AC7380, GEO-02474, NSC 52181, NSC-52180, NSC-52181, NSC176105, NSC176107, SBB065947, ZB1703, AKOS000120233, AKOS015837821, AKOS015837823, 4-t-butylcyclohexane-1-carboxylic acid, 4-tert-butyl-cyclohexanecarboxylic acid, 4-tert-butylcyclohexane-carboxylic acid, AB06262, FB03421, NSC-176105, NSC-176107, trans-4-t-butylcyclohexanecarboxylic acid, AS-17248, AS-64517, AS-69893, SY102581, 4-tert-Butylcyclohexanecarboxylic acid,c&t, trans-4-tert-Butycyclohexanecarboxylic acid, Cis-4-(tert-butyl)cyclohexanecarboxylicacid, DB-052595, DB-057491, 4-(Tert-butyl)cyclohexane-1-carboxylic acid, 4-tert-Butylcyclohexanecarboxylic acid, 99%, B1285, B2631, CS-0081079, CS-0453487, EU-0099985, ST50307461, trans-4-tert-butyl-cyclohexanecarboxylic acid, EN300-20265, D88778, T71484, trans-4-tert-butylcyclohexane-1-carboxylic acid, (1r,4r)-4-(tert-butyl)cyclohexanecarboxylic acid, Cyclohexanecarboxylic acid,1-dimethylethyl)-, cis-, SR-01000597228, Cyclohexanecarboxylic acid,1-dimethylethyl)-, trans-, SR-01000597228-1, TRANS-4-TERT-BUTYLCYCLOHEXANE CARBOXYLIC ACID, Q27159833, Trans-4-(1,1-dimethylethyl)cyclohexanecarboxylic acid, 4-tert-Butylcyclohexanecarboxylic acid methyl ester,c&t, Z104477532, 4-tert-Butylcyclohexanecarboxylic acid, purum, >=98.0% (T)

Application

4-Tert-butylcyclohexane-1-carboxylic acid is widely used as a building block in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its sterically hindered structure makes it valuable in asymmetric catalysis and ligand design. Researchers also employ it in the study of conformational dynamics in cyclohexane derivatives. Additionally, it serves as a precursor for esters and amides in polymer and surfactant applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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