Description

4-Tert-butylcyclohexane-1-carboxylic acid (CAS No. 5451-55-8) is a high-purity cyclohexane derivative widely used in organic synthesis and pharmaceutical research. This compound, with the molecular formula C₁₁H₂₀O₂, features a tert-butyl group at the 4-position of the cyclohexane ring, enhancing its steric and electronic properties for specialized applications. Available in both cis and trans isomeric forms, it serves as a versatile intermediate in the synthesis of fine chemicals, chiral auxiliaries, and ligand frameworks. Its stability and reactivity make it ideal for catalytic studies, polymer modification, and agrochemical development. Packaged under inert conditions to ensure longevity, this product meets rigorous analytical standards (≥98% purity by GC/TLC) and is supplied with comprehensive spectral data (NMR, MS, IR) for verification.

Properties

• CAS Number: 5451-55-8
• 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)

4-Tert-butylcyclohexane-1-carboxylic acid is employed as a chiral building block in asymmetric synthesis, particularly for pharmaceuticals and agrochemicals. Its sterically hindered structure aids in the development of stereoselective catalysts and ligands. Researchers also utilize it in polymer science to modify material properties. The compound’s stability under acidic conditions makes it suitable for prolonged reaction studies.

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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