Description

(trans,trans)-4-Ethenyl-4′-propyl-1,1′-bicyclohexyl (CAS No. 116020-44-1) is a high-purity bicyclic organic compound with the molecular formula C₁₇H₃₀. This structurally unique molecule features a trans,trans-configuration, ensuring optimal steric and electronic properties for advanced research applications. It is characterized by its ethenyl and propyl functional groups attached to a bicyclohexyl backbone, making it a valuable intermediate in organic synthesis and material science. Ideal for researchers in liquid crystal development, polymer chemistry, and supramolecular assemblies, this compound is supplied with rigorous QC validation (≥95% purity by HPLC/GC). Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 116020-44-1
• Complexity: 214
• IUPAC Name: 1-propyl-4-(4-vinylcyclohexyl)cyclohexane
• InChI: InChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h4,14-17H,2-3,5-13H2,1H3
• InChI Key: KHDBEDDPFRHGCN-UHFFFAOYSA-N
• Exact Mass: 234.234750957
• Molecular Formula: C17H30
• Molecular Weight: 234.4
• SMILES: CCCC1CCC(CC1)C2CCC(CC2)C=C
• Monoisotopic Mass: 234.234750957
• Synonyms: DTXSID20921900, DTXCID401436337, (trans,trans)-4-ethenyl-4′-propyl-1,1′-Bicyclohexyl, 4-Propyl-4′-vinyl-1,1′-bi(cyclohexane), 477557-80-5, 116020-44-1, 4-ETHENYL-4′-PROPYL-1,1′-BICYCLOHEXYL, (trans,trans)-4-Propyl-4′-vinyl-1,1′-bi(cyclohexane), 1,1′-Bicyclohexyl, 4-ethenyl-4′-propyl-, (trans,trans)-, trans,trans-4-Propyl-4′-vinyl-bicyclohexyl, trans,trans-4-Propyl-4′-vinylbicyclohexyl, 1-Ethenyl-4-(4-propylcyclohexyl)cyclohexane, (1r,1’s,4r,4’r)-4-ethenyl-4′-propyl-1,1′-bi(cyclohexane), 4-propyl-4-(trans-4-(trans-4-vinylcyclohexyl)cyclohexyl), 3VbcH, MFCD11045059, 1-(4-ethenylcyclohexyl)-4-propylcyclohexane, SCHEMBL2270739, SCHEMBL2270741, SCHEMBL2270744, 4-propyl-4′-vinyl-bicyclohexyl, SCHEMBL28361607, KHDBEDDPFRHGCN-GARHLSDISA-N, KHDBEDDPFRHGCN-UHFFFAOYSA-N, 4-Propyl-4′-vinylbi(cyclohexane), C17H30, MFCD12911824, AKOS016003856, AKOS030228313, SB66330, DS-11815, DS-15527, 4-Propyl-4′-vinyl-1,1′-bi(cyclohexyl), 4-Ethenyl-4′-propyl-1,1′-bicyclohexyl, DB-009038, CS-0061480, CS-0152581, NS00008681, P2317, N10615, 1,1′-Bicyclohexyl,4-ethenyl-4′-propyl-,(trans,trans)-, trans-1-ethenyl-4-(trans-4-propyl-cyclohexyl)cyclohexane, (trans,atrans)-4-aethenyl-a4′-apropyla-1,a1′-aBicyclohexyl, 1,1′-Bicyclohexyl, 4-ethenyl-4′-propyl-, (trans,trans)-, (Trans,Trans)-4-Propyl-4 inverted exclamation mark -Vinyl-1,1 inverted exclamation mark -Bi(Cyclohexane)

Application

(trans,trans)-4-Ethenyl-4′-propyl-1,1′-bicyclohexyl is widely utilized in the synthesis of liquid crystal materials due to its rigid bicyclohexyl core and tunable alkyl/alkenyl substituents. It serves as a key building block for advanced organic semiconductors and photoresponsive polymers. Researchers also employ it in the study of sterically constrained molecular systems for catalytic applications.

Safety and Hazards

GHS Hazard Statements

• H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation]
• H360 (10%): May damage fertility or the unborn child [Danger Reproductive toxicity]
• H360D (80%): May damage the unborn child [Danger Reproductive toxicity]

Precautionary Statements

• P203, P264, P280, P302+P352, P318, P321, P332+P317, P362+P364, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (90%)
• Repr. 1B (10%)
• Repr. 1B (80%)

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