55539-04-3

Basic information

• Product Name: 1,3-dimethylcyclohexanol
• Synonyms: 1,3-Dimethylcyclohexanol; cyclohexanol, 1,3-dimethyl-
• CAS NO: 55539-04-3
• Molecular Formula: C₈H₁₆O
• Molecular Weight: 128.212
• Mol File: 55539-04-3.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 174.3°C at 760 mmHg
• Flash Point: 66.6°C
• Density: 0.903g/cm³
• Vapor Pressure: 0.377mmHg at 25°C
• Refractive Index: 1.456
• CAS DataBase Reference: 1,3-dimethylcyclohexanol(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-dimethylcyclohexanol(55539-04-3)
• EPA Substance Registry System: 1,3-dimethylcyclohexanol(55539-04-3)

Safety Data

• Hazardous Substances Data: 55539-04-3(Hazardous Substances Data)

Usage

Classification

Cyclohexanol (a type of alcohol with a ring structure)

Structural feature

"1,3-dimethyl" prefix (two methyl groups attached to the first and third carbon atoms of the cyclohexanol ring)

Common uses

a. Solvent in various industrial processes
b. Production of fragrances and flavorings

Potential applications

a. Pharmaceutical industry
b. Agrochemical industry

Safety precautions

a. May cause skin and eye irritation
b. Can be harmful if ingested or inhaled

Handling

Handle with care to avoid exposure and potential health risks

Upstream product

• 638-04-0 1,3-dimethylcyclohexane 
• 7214-50-8 5-methylcyclohex-2-en-1-one 
• 917-54-4 methyllithium 
• 917-64-6 methyl magnesium iodide 
• 591-24-2 3-Methylcyclohexanone 
• 29481-98-9 1,3-dimethyl-2-cyclohexen-1-ol 
• 638-04-0 cis-1,3-dimethylcyclohexane 
• 90112-44-0 5-methyl-1-oxaspiro[2.5]octane 
• 18006-13-8 methyltriisopropoxytitanium(IV) 
• 2747-38-8 methyltrichlorotitanium 
• 13368-65-5 (3R)-3-methylcyclohexanone 
• 75-16-1 methylmagnesium bromide 
• 2207-03-6 trans-1,3-dimethylcyclohexane 
• 103260-32-8 (+/-)-1-hydroxy-3t-methyl-cyclohexane-r-carboxylic acid methyl ester 

Downstream Products

• 638-04-0 1,3-dimethylcyclohexane 
• 383185-93-1 1,cis-3-dimethylcyclohexylamine 
• 383185-93-1 1,trans-3-dimethylcyclohexylamine 
• 638-04-0 cis-1,3-dimethylcyclohexane 
• 2207-03-6 trans-1,3-dimethylcyclohexane 
• 101869-68-5 (+/-)-1r.3t-dimethyl-cyclohexanediol-(1.3c) 
• 128749-93-9 1r.3c-dimethyl-cyclohexanediol-(1.3t) 
• 2808-77-7 2,4-dimethylcyclohexene 

Relevant articles and documents

Selective C-H bond hydroxylation of cyclohexanes in water by supramolecular control

A new approach for selective hydroxylation of non-activated cyclohexanes using dioxirane generated in situ in water through supramolecular control has been developed. Using β-CD and γ-CD as the supramolecular hosts, selective hydroxylation of cyclohexane substrates, including trans/cis-1,4-, 1,3-and 1,2-dimethylcyclohexanes and trans/cis-decahydronaphthalene, was achieved in up to 54% yield in water. Furthermore, site-selective C-H bond hydroxylation of (+)-menthol was achieved by obstructing the approach of dioxirane to the C-H bond with higher steric hindrance through inclusion complexation with β-CD and γ-CD in water.

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.

Unprecedented Stereoselectivity in the Addition of Organoiron(II) Reagents to Cyclohaxanone Derivatives

Various organoiron(II) reagents undergo Grignard-type additions to substituted cyclohexanone derivatives, C-C bond formation occurring stereoselectively from the equatorial direction (97 - 100percent selectivity).