CAS 96097-19-7

rel-(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl hexadecanoate

Description:

Rel-(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl hexadecanoate, with the CAS number 96097-19-7, is an organic compound characterized by its ester functional group, formed from the reaction of hexadecanoic acid (a long-chain fatty acid) and a specific cyclohexanol derivative. This compound features a cyclohexane ring with a methyl group and an isopropyl group attached, contributing to its unique stereochemistry and potentially influencing its physical properties. The presence of the long hexadecanoate chain suggests that it may exhibit hydrophobic characteristics, making it less soluble in water but more soluble in organic solvents. Its stereochemistry may also affect its biological activity and interactions with other molecules. Such compounds are often studied for their potential applications in fields like fragrance, flavoring, or as intermediates in organic synthesis. However, detailed studies on its specific properties, such as melting point, boiling point, and reactivity, would be necessary to fully understand its behavior in various chemical contexts.

Formula: C₂₆H₅₀O₂

InChI: InChI=1/C26H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(27)28-25-21-23(4)19-20-24(25)22(2)3/h22-25H,5-21H2,1-4H3/t23-,24+,25-/s2

InChI key: InChIKey=VGLJQMIPINKCBI-LHTRTOCRNA-N

SMILES: O(C(CCCCCCCCCCCCCCC)=O)[C@H]1[C@H](C(C)C)CC[C@@H](C)C1

Synonyms:

• rel-(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl hexadecanoate
• Hexadecanoic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-
• Hexadecanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1α,2β,5α)-

DL-Menthyl Palmitate

Controlled Product

CAS: 96097-19-7

Formula: C₂₆H₅₀O₂

Color and Shape: White

Molecular weight: 394.674

Ref: TR-M101420