Description

4-(trans-4-Ethylcyclohexyl)benzoic acid (CAS No. 87592-41-4) is a high-purity organic compound with the molecular formula C₁₅H₂₀O₂. This crystalline solid is widely utilized in advanced chemical research and material science applications due to its unique structural properties. The compound features a benzoic acid moiety linked to a trans-4-ethylcyclohexyl group, offering a blend of aromatic and aliphatic characteristics. Its high stability and well-defined molecular structure make it an excellent candidate for liquid crystal research, pharmaceutical intermediates, and specialty polymer synthesis. Available in ≥98% purity (HPLC), this product is rigorously tested to meet the stringent requirements of industrial and academic researchers. Each batch is supplied with comprehensive analytical data, including NMR and MS spectra, ensuring reproducibility and reliability for your experiments.

Properties

• CAS Number: 87592-41-4
• Complexity: 246
• IUPAC Name: 4-(4-ethylcyclohexyl)benzoic acid
• InChI: InChI=1S/C15H20O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h7-12H,2-6H2,1H3,(H,16,17)
• InChI Key: DUJHWZDXZFNEKU-UHFFFAOYSA-N
• Exact Mass: 232.146329876
• Molecular Formula: C15H20O2
• Molecular Weight: 232.32
• SMILES: CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 232.146329876
• Synonyms: 87592-41-4, 4-(trans-4-ethylcyclohexyl)benzoic acid, 4-((1r,4r)-4-Ethylcyclohexyl)benzoic acid, 4-(4-ethylcyclohexyl)benzoic acid, MFCD06658176, 4-trans-ethylcyclohexyl benzoic acid, Benzoic acid, 4-(4-ethylcyclohexyl)-, trans-, SCHEMBL8220664, SCHEMBL10784907, DTXSID10553239, DUJHWZDXZFNEKU-UHFFFAOYSA-N, SBB059633, AKOS015838524, DS-16459, SY047091, 4-((1r,4r)-4-Ethylcyclohexyl)benzoicacid, DB-006563, CS-0153905, E1253, ST51044558, F16521

Application

4-(trans-4-Ethylcyclohexyl)benzoic acid is primarily employed as a key intermediate in the synthesis of liquid crystal materials, particularly for display technologies. Its rigid-rod molecular structure contributes to the mesomorphic properties essential for LCD applications. Researchers also utilize this compound in the development of novel pharmaceutical agents due to its carboxylic acid functionality, which allows for further derivatization. Additionally, it serves as a building block in polymer chemistry for creating specialized thermotropic materials with tailored thermal and optical properties.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.