91112-31-1

Basic information

• Product Name: 1-Propanol, 2-[[(2,6,6-trimethyl-1-cyclohexen-1-yl)methylene]amino]-, (S)-
• CAS NO: 91112-31-1
• Molecular Formula: C13H23NO
• Molecular Weight: 209.332
• Mol File: 91112-31-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-Propanol, 2-[[(2,6,6-trimethyl-1-cyclohexen-1-yl)methylene]amino]-, (S)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Propanol, 2-[[(2,6,6-trimethyl-1-cyclohexen-1-yl)methylene]amino]-, (S)-(91112-31-1)
• EPA Substance Registry System: 1-Propanol, 2-[[(2,6,6-trimethyl-1-cyclohexen-1-yl)methylene]amino]-, (S)-(91112-31-1)

Safety Data

• Hazardous Substances Data: 91112-31-1(Hazardous Substances Data)

Upstream product

• 2749-11-3 (S)-Alaninol 
• 432-25-7 2,6,6-trimethylcyclohex-1-enecarbaldehyde 

Relevant articles and documents

Chiral β-Cyclocitral Schiff Bases: A Combined Spectroscopic and Theoretical Approach to a Twisted Enimine Structure

UV and CD spectra of eight β-cyclocitral Schiff bases rendered chiral by virtue of an asymmetrically substituted imine part have been measured and rationalized on the basis of force-field (MMP2) and quantum-mechanical (CNDO) calculations.They show the compounds to exist as a temperature- and solvent-dependent mixture of highly twisted s-cis and close to planar, but less stable s-trans conformers.Both ??* and n?* absorptions are unambigously assigned, the former in the UV spectra, and the latter in the CD spectra; however, only the sign of the n?* band correlates with the absolute conformation of the diene, being plus for M and minus for P helicity.