CAS 89331-95-3
:Benzoic acid, 4-(4-butylcyclohexyl)-, 4-(hexyloxy)phenyl ester, trans-
Description:
Benzoic acid, 4-(4-butylcyclohexyl)-, 4-(hexyloxy)phenyl ester, trans- (CAS 89331-95-3) is an organic compound characterized by its ester functional group, which is formed from the reaction of benzoic acid and an alcohol. This compound features a complex structure that includes a butylcyclohexyl group and a hexyloxy group, contributing to its unique physical and chemical properties. Typically, esters like this one exhibit moderate solubility in organic solvents and may have limited solubility in water due to their hydrophobic hydrocarbon chains. The presence of the cyclohexyl and hexyloxy substituents can influence the compound's melting point, boiling point, and reactivity, making it of interest in various applications, including as a potential plasticizer or in the synthesis of other chemical compounds. Additionally, the trans configuration suggests a specific spatial arrangement of the substituents, which can affect the compound's interactions and stability. Overall, this compound's characteristics make it relevant in both industrial and research contexts.
Formula:C29H40O3
InChI:InChI=1/C29H40O3/c1-3-5-7-8-22-31-27-18-20-28(21-19-27)32-29(30)26-16-14-25(15-17-26)24-12-10-23(11-13-24)9-6-4-2/h14-21,23-24H,3-13,22H2,1-2H3/t23-,24-
InChI key:InChIKey=BJLBNWHJNQWIMF-RQNOJGIXNA-N
SMILES:C(OC1=CC=C(OCCCCCC)C=C1)(=O)C2=CC=C(C=C2)[C@H]3CC[C@H](CCCC)CC3
Synonyms:- Benzoic acid, 4-(4-butylcyclohexyl)-, 4-(hexyloxy)phenyl ester, trans-
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