38490-33-4

Basic information

• Product Name: 1,3,3,5,5-PENTAMETHYLCYCLOHEXANOL
• Synonyms: 1,3,3,5,5-PENTAMETHYLCYCLOHEXANOL
• CAS NO: 38490-33-4
• Molecular Formula: C₁₁H₂₂O
• Molecular Weight: 170.29
• Mol File: 38490-33-4.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 202.1°C at 760 mmHg
• Flash Point: 80.3°C
• Appearance: /
• Density: 0.857g/cm³
• Vapor Pressure: 0.0729mmHg at 25°C
• Refractive Index: 1.441
• CAS DataBase Reference: 1,3,3,5,5-PENTAMETHYLCYCLOHEXANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,3,5,5-PENTAMETHYLCYCLOHEXANOL(38490-33-4)
• EPA Substance Registry System: 1,3,3,5,5-PENTAMETHYLCYCLOHEXANOL(38490-33-4)

Safety Data

• Hazardous Substances Data: 38490-33-4(Hazardous Substances Data)

Usage

Physical state

White, waxy solid

Solubility

Insoluble in water, soluble in organic solvents

Uses

a. Fragrance ingredient in perfumes and colognes
b. Solvent in various industries
c. Production of plasticizers, surfactants, and other industrial chemicals

Fragrance

Known for its strong fragrance

Toxicity

Low toxicity

Safety

Generally regarded as safe for use in cosmetic and personal care products

InChI:InChI=1/C11H22O/c1-9(2)6-10(3,4)8-11(5,12)7-9/h12H,6-8H2,1-5H3

Upstream product

• 917-64-6 methyl magnesium iodide 
• 14376-79-5 3,3,5,5-tetramethylcyclohexanone 
• 75-16-1 methylmagnesium bromide 
• 917-54-4 methyllithium 
• 78-59-1 3,5,5-Trimethylcyclohex-2-en-1-one 
• 676-58-4 methylmagnesium chloride 

Downstream Products

• 50966-95-5 1,3,3,5,5-pentamethyl-cyclohexene 
• 14090-23-4 1,1,3,3-tetramethyl-5-methylenecyclohexane 
• 316364-93-9 N-Chloroacetyl-1,3,3,5,5-pentamethylcyclohexanamine 
• 219810-59-0 neramexane 
• 32704-50-0 1-(2,4,4,6,6-pentamethyl-cyclohex-2-enyl)-ethanone 
• 209185-99-9 neramexane hydrochloride 
• 457068-92-7 Neramexane mesylate 
• 259734-04-8 C₁₂H₂₃NO 

Relevant articles and documents

METHOD OF PREPARING NERAMEXANE

Method of producing a salt of 1-amino-1,3,3,5,5-pentamethylcyclohexane comprising steps (i) to (v): (i) converting isophorone to 3,3,5,5-tetramethylcyclohexanone; (ii) converting 3,3,5,5-tetramethylcyclohexanone obtained in step (i) to 1- hydroxy-1,3,3,5,5-pentamethylcyclohexane; (iii) converting 1-hydroxy-1,3,3,5,5-pentamethylcyclohexane obtained in step (ii) to 1-chloroacetamido-1,3,3,5,5-pentamethylcyclohexane; (iv) converting 1-chloroacetamido-1,3,3,5,5-pentamethylcyclohexane obtained in step (iii) to 1-amino-1,3,3,5,5-pentamethylcyclohexane; wherein at least one of 3,3,5,5-tetramethylcyclohexanone, 1-hydroxy-1,3,3,5,5- pentamethylcyclohexane, 1-chloroacetamido-1,3,3,5,5-pentamethylcyclohexane, is not subjected to a purification step.

METHOD OF PREPARING 1-CHLOROACETAMIDO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE

Method of preparing 1-chloroacetamido-1,3,3,5,5-pentamethylcyclohexane, an intermediate in the synthesis of 1-amino-1,3,3,5,5-pentamethylcyclohexane (Neramexane) or a pharmaceutically acceptable salt thereof, comprising step (iii): (iii) reacting 1-hydrox

Synthesis and structure-affinity relationships of 1,3,5-alkylsubstituted cyclohexylamines binding at NMDA receptor PCP site

A series of 1,3,5-alkylsubstituted cyclohexylamines 2 were synthesized as ligands for the N-methyl-D-aspartate (NMDA) receptor phencyclidine (PCP) binding site. Pure diastereomers with defined configuration of amino group 2- ax and 2-eq were obtained. The optimal size of 1,3,5-substituents was determined for cyclohexylamines 2 with an equatorial amino group in the lowest energy conformation using Hansch analysis. According to the data, the lipophilic part of cyclohexylamines 2 does not discriminate between hydrophobic regions of the PCP binding site but rather recognizes this site as a whole lipophilic pocket. (C) 2000 Editions scientifiques et medicales Elsevier SAS.