Description

trans-1-(2-(4-Propoxyphenyl)ethynyl)-4-(4-propylcyclohexyl)benzene (CAS No. 116903-49-2) is a high-purity organic compound with the molecular formula C₂₆H₃₂O. This advanced chemical features a rigid molecular structure incorporating a propylcyclohexyl group and a propoxyphenyl ethynyl linkage, making it an ideal candidate for research in liquid crystal materials and advanced organic electronics. Its precise synthesis and exceptional purity (>98%) ensure reliable performance in experimental applications. This compound is particularly valuable for studies involving mesogenic properties, optoelectronic device development, and molecular self-assembly systems. Packaged under inert gas to ensure stability, it is supplied in amber glass vials with certificate of analysis.

Properties

• CAS Number: 116903-49-2
• Complexity: 459
• IUPAC Name: 1-propoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
• InChI: InChI=1S/C26H32O/c1-3-5-21-8-14-24(15-9-21)25-16-10-22(11-17-25)6-7-23-12-18-26(19-13-23)27-20-4-2/h10-13,16-19,21,24H,3-5,8-9,14-15,20H2,1-2H3
• InChI Key: KPRYWLQZHXTLHW-UHFFFAOYSA-N
• Exact Mass: 360.245315640
• Molecular Formula: C26H32O
• Molecular Weight: 360.5
• SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)OCCC
• Topological: 9.2
• Monoisotopic Mass: 360.245315640
• Synonyms: 116903-49-2, 1-(4-trans-Propylcyclohexyl)-4-[4(4-propyloxyphenyl)ethinyl]-benzol, TRANS-1-(2-(4-PROPOXYPHENYL)ETHYNYL)-4-(4-PROPYLCYCLOHEXYL)BENZENE, 1-Propoxy-4-[[4-(trans-4-propylcyclohexyl)phenyl]ethynyl]benzene, 1-Propoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene, 1-Propoxy-4-((4-(trans-4-propylcyclohexyl)phenyl)ethynyl)benzene, 1-propoxy-4-(2-(4-(4-propylcyclohexyl)phenyl)ethynyl)benzene, KPRYWLQZHXTLHW-UHFFFAOYSA-N, MFCD11053434, 3cHP3OPa, SCHEMBL5352047, DTXSID10564128, AS-82277, CS-0183013, P2440, 1-Propoxy-4-{[4-(4-propylcyclohexyl)phenyl]ethynyl}benzene, trans-1-Propoxy-4-(2-(4-(4-propylcyclohexyl)phenyl)ethynyl)benzene, 1-Propoxy-4-((4-((1S,4R)-4-propylcyclohexyl)phenyl)ethynyl)benzene, 1-Propoxy-4-[[4-(trans-4-propylcyclohexyl)phenyl]ethynyl]benzene, >/=98%

Application

This compound serves as a key intermediate in the development of liquid crystal displays (LCDs) and optoelectronic devices due to its mesogenic properties. Researchers utilize it to study molecular alignment and phase transition behaviors in advanced materials science. Its rigid-rod structure makes it valuable for investigating charge transport in organic semiconductors.

Safety and Hazards

GHS Hazard Statements

• H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P273, and P501

Hazard Classes and Categories

• Aquatic Chronic 4 (100%)

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