27857-02-9

Basic information

• Product Name: C₂₂H₂₄O₆
• Synonyms: C₂₂H₂₄O₆
• CAS NO: 27857-02-9
• Molecular Weight: 384.429
• Mol File: 27857-02-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: C₂₂H₂₄O₆(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₂H₂₄O₆(27857-02-9)
• EPA Substance Registry System: C₂₂H₂₄O₆(27857-02-9)

Safety Data

• Hazardous Substances Data: 27857-02-9(Hazardous Substances Data)

Upstream product

• 556-48-9 1,4-Cyclohexanediol 
• 100-07-2 4-methoxy-benzoyl chloride 
• 6995-79-5 cyclohexane-1,4-diol 

Relevant articles and documents

Synthesis and NMR spectroscopic conformational analysis of benzoic acid esters of mono- and 1,4-dihydroxycyclohexane, 4-hydroxycyclohexanone and the -ene analogue – The more polar the molecule the more stable the axial conformer

para-Substituted benzoic acid esters of cyclohexanol, 1,4-dihydroxycyclohexane, 4-hydroxy-cyclohexanone and of the corresponding exo-methylene derivative were synthesized and the conformational equilibria of the cyclohexane skeleton studied by low temperature 1H and 13C NMR spectroscopy. The geometry optimized structures of the axial/equatorial chair conformers were computed at the DFT level of theory. Only one preferred conformation of the ester group was obtained for both the axial and the equatorial conformer, respectively. The content of the axial conformer increases with growing polarity of the 6-membered ring moiety; hereby, in addition, the effect of sp2 hybridization/polarity of C(4)=O/C(4)=CH2 on the present conformational equilibria is critically evaluated. Another dynamic process could be studied, for the first time in this kind of compounds.