CAS 84601-02-5

Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-(heptyloxy)phenyl ester, trans-

Description:

Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-(heptyloxy)phenyl ester, trans- (CAS 84601-02-5) 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 benzoic acid moiety, a pentylcyclohexyl group, and a heptyloxy substituent, contributing to its unique physical and chemical properties. Typically, esters like this one exhibit low volatility and are often less soluble in water but more soluble in organic solvents. The presence of long hydrocarbon chains in its structure suggests that it may have amphiphilic characteristics, potentially allowing it to interact with both polar and nonpolar environments. Additionally, the trans configuration indicates a specific geometric arrangement that can influence its physical properties, such as melting and boiling points. This compound may find applications in materials science, particularly in the development of liquid crystals or as additives in various formulations due to its structural characteristics.

Formula: C₃₁H₄₄O₃

InChI: InChI=1/C31H44O3/c1-3-5-7-8-10-24-33-29-20-22-30(23-21-29)34-31(32)28-18-16-27(17-19-28)26-14-12-25(13-15-26)11-9-6-4-2/h16-23,25-26H,3-15,24H2,1-2H3/t25-,26-

InChI key: InChIKey=VEVLKNQODQPWJT-DIVCQZSQNA-N

SMILES: C(OC1=CC=C(OCCCCCCC)C=C1)(=O)C2=CC=C(C=C2)[C@H]3CC[C@H](CCCCC)CC3

Synonyms:

• Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-(heptyloxy)phenyl ester, trans-

4-(Heptyloxy)phenyl 4-(trans-4-pentylcyclohexyl)benzoate

CAS: 84601-02-5

Formula: C₃₁H₄₄O₃

Molecular weight: 464.6793

Ref: IN-DA00G427