4-Propylphenyl 4-(trans-4-pentylcyclohexyl)benzoate

CAS Registry Number®

85005-66-9

CAS Name

4-Propylphenyl 4-(trans-4-pentylcyclohexyl)benzoate

Molecular Formula

C27H36O2

Molecular Mass

392.57

Cite this Page

4-Propylphenyl 4-(trans-4-pentylcyclohexyl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85005-66-9 (retrieved 2025-04-05) (CAS RN: 85005-66-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    69 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C27H36O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h11-12,15-20,22-23H,3-10,13-14H2,1-2H3/t22-,23-

InChIKey

InChIKey=VDXLRVQMTSSZRM-YHBQERECNA-N

SMILES

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

Canonical SMILES

O=C(OC1=CC=C(C=C1)CCC)C2=CC=C(C=C2)C3CCC(CCCCC)CC3

Other Names for this Substance

  • Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, 4-propylphenyl ester
  • Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-propylphenyl ester, trans-
  • 4-Propylphenyl 4-(trans-4-pentylcyclohexyl)benzoate
  • HP 53