Description
trans-4-[2-(4-Pentylcyclohexyl)ethyl]cyclohexanone (CAS No. 121040-08-2) is a high-purity organic compound with the molecular formula C19H34O. This ketone derivative features a trans-configuration cyclohexyl backbone substituted with a pentyl chain and an ethyl-linked cyclohexanone moiety, making it a valuable intermediate in advanced organic synthesis and materials science. Its well-defined structure ensures consistency in research applications, particularly in liquid crystal development, where its rigid yet flexible architecture contributes to mesophase stability. With a purity grade suitable for laboratory and industrial use, this compound is supplied in sealed containers under inert conditions to maintain stability and prevent degradation. Ideal for researchers exploring novel functional materials, it is characterized by GC/MS, NMR, and HPLC to guarantee quality and reproducibility.
Properties
- CAS Number: 121040-08-2
- Complexity: 265
- IUPAC Name: 4-[2-(4-pentylcyclohexyl)ethyl]cyclohexanone
- InChI: InChI=1S/C19H34O/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h16-18H,2-15H2,1H3
- InChI Key: ISFMATRVDNBZMP-UHFFFAOYSA-N
- Exact Mass: 278.260965704
- Molecular Formula: C19H34O
- Molecular Weight: 278.5
- SMILES: CCCCCC1CCC(CC1)CCC2CCC(=O)CC2
- Topological: 17.1
- Monoisotopic Mass: 278.260965704
- Synonyms: 121040-08-2, TRANS-4-[2-(4-PENTYLCYCLOHEXYL)ETHYL]CYCLOHEXANONE, 4-[2-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one, 4-[2-(trans-4-Pentylcyclohexyl)ethyl]cyclohexanone, MFCD14636435, SCHEMBL9337247, SCHEMBL9337256, DTXSID20476102, ISFMATRVDNBZMP-QAQDUYKDSA-N, ISFMATRVDNBZMP-UHFFFAOYSA-N, 4-{2-[(1S,4R)-4-PENTYLCYCLOHEXYL]ETHYL}CYCLOHEXAN-1-ONE, AKOS015917652, SB66441, AS-68430, DB-009055, P2370, N10628, 4-[2-(trans-4-Amylcyclohexyl)ethyl]cyclohexanone, 4-[2-(Trans-4-n-pentylcyclohexyl)ethyl]cyclohexanone, 4-[2-(trans-4-Pentylcyclohexyl)ethyl]cyclohexanone, >/=98%
Application
This compound serves as a key synthon in the preparation of liquid crystalline materials, where its trans-cyclohexyl and ketone functionalities enhance thermal and optical properties. It is also utilized in organic electronics for modulating molecular alignment in thin-film devices. Researchers employ it in structure-activity relationship (SAR) studies due to its conformational rigidity.
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