Description

4′-Butyl-1,1′-bi(cyclohexyl)-4-carboxylic acid (CAS No. 89111-63-7) is a high-purity cyclohexane derivative with the molecular formula C₁₇H₃₀O₂. This compound, also known by its IUPAC name 4-(4-butylcyclohexyl)cyclohexane-1-carboxylic acid, is a versatile intermediate in organic synthesis and material science applications. The trans,trans-isomer configuration ensures superior stability and reactivity for specialized chemical transformations. Our product is rigorously tested to meet the highest standards of purity (>98%) and is supplied as a white to off-white crystalline powder. Ideal for research and development in pharmaceuticals, liquid crystals, and advanced materials, this compound is packaged under inert conditions to guarantee long-term stability. Available in quantities from milligrams to kilograms to suit both laboratory and pilot-scale applications.

Properties

• CAS Number: 89111-63-7
• Complexity: 271
• IUPAC Name: 4-(4-butylcyclohexyl)cyclohexanecarboxylic acid
• InChI: InChI=1S/C17H30O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h13-16H,2-12H2,1H3,(H,18,19)
• InChI Key: XYKCCZSKCZRZST-UHFFFAOYSA-N
• Exact Mass: 266.224580195
• Molecular Formula: C17H30O2
• Molecular Weight: 266.4
• SMILES: CCCCC1CCC(CC1)C2CCC(CC2)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 266.224580195
• Synonyms: 1126675-09-9, 4′-butyl-1,1′-bi(cyclohexyl)-4-carboxylic acid, trans,trans-4′-Butylbicyclohexyl-4-carboxylic Acid, 618-242-6, 856-240-9, 89111-63-7, Trans-4-(Trans-4-Butylcyclohexyl)Cyclohexanecarboxylic Acid, trans-4-(trans-4′-Butylcyclohexyl)cyclohexanecarboxylic acid, 4-(4-butylcyclohexyl)cyclohexane-1-carboxylic acid, (trans,trans)-4′-Butyl-[1,1′-bi(cyclohexane)]-4-carboxylic acid, 4′-BUTYL-[1,1′-BI(CYCLOHEXANE)]-4-CARBOXYLIC ACID, 4′-Butyl-[1,1′-bicyclohexyl]-4-carboxylic acid, 4′-butylbicyclohexyl-4-carboxylic acid, (1R,1’S,4R,4’R)-4′-BUTYL-[1,1′-BI(CYCLOHEXANE)]-4-CARBOXYLIC ACID, 4-(4-butylcyclohexyl)cyclohexanecarboxylic acid, MFCD06797517, 4′-Butylbi(cyclohexane)-4-carboxylic acid, TimTec1_008237, Oprea1_203914, Oprea1_741484, 1′-butyl-4,4′-bi(cyclohexane)-1-carboxylic acid, SCHEMBL958014, SCHEMBL1507883, SCHEMBL1507884, SCHEMBL4170124, DTXSID90364825, HMS1557G09, MFCD00625175, SBB059546, STK098512, AKOS000727740, AKOS015915061, AKOS024438156, AKOS025117005, SB66583, 4′-butylbicyclohexane-4-carboxylic acid, AS-71566, DB-218810, B5317, CS-0325230, NS00039306, ST50000247, T71433, 4′-Butyl-[1,1′-bicyclohexyl]-4-carboxylicacid, AH-034/32470001, 4′-Butyl[1,1′-bi(cyclohexane)]-4-carboxylic acid, A1-01904, Trans-4-(Trans-4-Butylcyclohexyl)CyclohexanecarboxylicAcid, (trans,trans)-4′-Butyl-[1,1′-bi(cyclohexane)]-4-carboxylicacid

Application

This compound serves as a key intermediate in the synthesis of liquid crystalline materials for display technologies. It is also utilized in pharmaceutical research for the development of novel bioactive molecules with cyclohexyl motifs. Researchers employ 4′-butyl-1,1′-bi(cyclohexyl)-4-carboxylic acid as a building block in supramolecular chemistry and metal-organic framework (MOF) construction.

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]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)
• Aquatic Acute 1 (50%)
• Aquatic Chronic 1 (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.