Atomfair (trans,trans)-4′-Pentyl-(1,1′-bicyclohexyl)-4-carboxylic acid C18H32O2 CAS 65355-33-1

Description

(trans,trans)-4′-Pentyl-(1,1′-bicyclohexyl)-4-carboxylic acid (CAS No. 65355-33-1) is a high-purity bicyclohexyl derivative with the molecular formula C₁₈H₃₂O₂. This compound features a rigid bicyclic structure with a pentyl substituent and a carboxylic acid functional group, making it a valuable intermediate in organic synthesis and material science. Its trans,trans configuration ensures consistent stereochemical properties, critical for applications requiring precise molecular geometry. Suitable for research and industrial use, it is provided in >98% purity (HPLC) and is available in various quantities to meet laboratory-scale or bulk requirements. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 65355-33-1
• Complexity: 284
• IUPAC Name: 4-(4-pentylcyclohexyl)cyclohexanecarboxylic acid
• InChI: InChI=1S/C18H32O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h14-17H,2-13H2,1H3,(H,19,20)
• InChI Key: VRPANQODGRNWRV-UHFFFAOYSA-N
• Exact Mass: 280.240230259
• Molecular Formula: C18H32O2
• Molecular Weight: 280.4
• SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 280.240230259
• Synonyms: (TRANS,TRANS)-4′-PENTYL-[1,1′-BICYCLOHEXYL]-4-CARBOXYLIC ACID, (trans,trans)-4′-Pentyl-(1,1′-bicyclohexyl)-4-carboxylic acid, 613-783-4, 65355-33-1, trans-4′-Pentyl-(1,1′-bicyclohexyl)-4-carboxylic acid, trans-4-Pentyl-(1,1-bicyclohexyl)-4-carboxylic acid, 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid, 4′-pentyl-1,1′-bi(cyclohexyl)-4-carboxylic acid, [1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-pentyl-, (trans,trans)-, trans,trans-4′-Pentylbicyclohexyl-4-carboxylic Acid, 5309-12-6, 4-(4-pentylcyclohexyl)cyclohexanecarboxylic acid, trans-4-(trans-4-pentylcyclohexyl)cyclohexanecarboxylic acid, MFCD05864408, 4′-Pentyl-bicyclohexyl-4-carboxylic acid, 4′-Pentylbi(cyclohexane)-4-carboxylic acid, trans-4-(trans-4-Amylcyclohe, SCHEMBL1961977, SCHEMBL1961978, SCHEMBL4159828, SCHEMBL4159836, DTXSID00967609, DTXSID401186261, SBB059476, STK046539, AKOS005384653, AKOS015915087, AKOS024389709, SB66662, NCGC00341499-01, 82372-79-0, AS-17603, DS-15538, DB-219023, CS-0152363, EU-0000067, P2437, ST51044455, 4′-Pentyl-1,1′-bicyclohexyl-4-carboxylicacid, F16570, AB01224612-03, 1′-pentyl-4,4′-biscyclohexane-1-carboxylic acid, AH-034/32470002, trans,trans-4′-Amylbicyclohexyl-4-carboxylic Acid, 4′-Pentyl[1,1′-bi(cyclohexane)]-4-carboxylic acid, trans,trans-4′-Amyl-1,1′-bicyclohexane-4-carboxylic Acid, trans-4′-Pentyl-(1,1′-bicyclohexyl)-4-carboxylic acid, trans,trans-4′-Pentyl-1,1′-bicyclohexane-4-carboxylic Acid, trans-4-(trans-4-pentylcyclohexyl)-cyclohexanecarboxylic acid, (trans,trans)-4a(2)-Pentyl[1,1a(2)-bicyclohexyl]-4-carboxylic acid

Application

(trans,trans)-4′-Pentyl-(1,1′-bicyclohexyl)-4-carboxylic acid is widely used as a building block in liquid crystal synthesis due to its rigid bicyclohexyl core and terminal carboxyl group. It serves as a key intermediate in the development of advanced organic materials, including mesogens for display technologies. Researchers also employ it in supramolecular chemistry for designing structurally defined frameworks. Its stability and functional group reactivity make it suitable for derivatization in pharmaceutical and agrochemical research.

Safety and Hazards

GHS Hazard Statements

• H315 (18.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (18.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H400 (72.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (81.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (18.2%)
• Eye Irrit. 2 (18.2%)
• Aquatic Acute 1 (72.7%)
• Aquatic Chronic 1 (81.8%)

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