Benzoicacid,4-(trans-4-pentylcyclohexyl)-,1,1'-[(1R)-1-phenyl-1,2-ethanediyl]ester

Catalog Number	ACM154102213-3
CAS Number	154102-21-3
Structure
Synonyms	4-(trans-4-Pentylcyclohexyl)benzoic acid (1R)-1-phenyl-1,2-ethanediyl ester
IUPAC Name	[(2R)-2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate
Molecular Weight	650.9
Molecular Formula	C44H58O4
Canonical SMILES	CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC[C@@H](C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5CCC(CC5)CCCCC
InChI	InChI=1S/C44H58O4/c1-3-5-8-12-33-16-20-35(21-17-33)37-24-28-40(29-25-37)43(45)47-32-42(39-14-10-7-11-15-39)48-44(46)41-30-26-38(27-31-41)36-22-18-34(19-23-36)13-9-6-4-2/h7,10-11,14-15,24-31,33-36,42H,3-6,8-9,12-13,16-23,32H2,1-2H3/t33?,34?,35?,36?,42-/m0/s1
InChI Key	KTIVHFRVDVVCHK-BAFIUCHISA-N
Boiling Point	736.3±60.0 ºC
Melting Point	130-134 ºC
Purity	99%+
Density	1.042±0.06 g/ml