TRANS-4-METHYLCYCLOHEXANOL

Base Information

• Chemical Name: TRANS-4-METHYLCYCLOHEXANOL
• CAS No.: 7731-29-5
• Molecular Formula: C7H14 O
• Molecular Weight: 114.188
• Hs Code.: 2906199090
• Mol file: 7731-29-5.mol

Synonyms:4-trans-Methylcyclohexanol;trans-4-Methylcyclohexan-1-ol; trans-4-Methylcyclohexanol

Chemical Property of TRANS-4-METHYLCYCLOHEXANOL

Chemical Property:

• Melting Point: -9.2°C (estimate)
• Refractive Index: n20/D 1.455(lit.)
• Boiling Point: 173-175 °C(lit.)
• PKA: 15.32±0.40(Predicted)
• Flash Point: 158 °F
• PSA: 20.23000
• Density: 0.912 g/mL at 25 °C(lit.)
• LogP: 1.55740
• Water Solubility.: Slightly soluble in water.

Purity/Quality:

98%,99%, ^*data from raw suppliers

trans-4-Methylcyclohexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-38

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: trans-4-Methylcyclohexanol is used to prepare 4-methylcyclohexyl nitrite to study the laser-induced fluorescence (LIF) excitation spectra of the 4-methylcyclohexoxy and d11-cyclohexoxy radicals. trans-4-Methylcyclohexanol was used to prepare 4-methylcyclohexyl nitrite to study the laser-induced fluorescence (LIF) excitation spectra of the 4-methylcyclohexoxy and d11-cyclohexoxy radicals.

Technology Process of TRANS-4-METHYLCYCLOHEXANOL

There total 64 articles about TRANS-4-METHYLCYCLOHEXANOL which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

1-methylcyclohexan-4-one (589-92-4) → trans-4-methylcyclohexan-1-ol (7731-29-5) + cis-4-methylcyclohexanol (7731-28-4)

Guidance literature:

With potassium 9-t-butyl-9-boratabicyclo<3.3.1>nonane; In tetrahydrofuran; at 0 ℃; Yield given. Title compound not separated from byproducts;

DOI:10.1016/0040-4039(88)85337-1

Reference yield: 88.4%

p-cresol (106-44-5) → trans-4-methylcyclohexan-1-ol (7731-29-5) + cis-4-methylcyclohexanol (7731-28-4) + 1-methylcyclohexan-4-one (589-92-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methyl cyclohexane; at 80 ℃; under 1125.09 Torr; Product distribution; Rate constant; other pressures, samples of Pd/C of the various sodium content;

DOI:10.1246/bcsj.65.824

Reference yield: 45.0%

p-methylcyclohexanol (589-91-3) → trans-4-methylcyclohexan-1-ol (7731-29-5) + 1-methylcyclohexan-4-one (589-92-4)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; dimethylsulfide; oxygen; copper(I) bromide dimethylsulfide complex; 6,6'-bis(C₈F₁₇(CH₂)4)-2,2'-bipyridine; In chlorobenzene; at 90 ℃; for 1.8h;

DOI:10.1016/S0040-4020(02)00250-8

upstream raw materials:

4-hydroxy-3-ethoxybenzaldehyde

p-cresol

piperonal

bis-(4-hydroxyphenyl)methane

Downstream raw materials:

1-methyl-1-cyclohexanecarboxylic acid

1-chloro-4-methylcyclohexane

cis-1-bromo-4-methylcyclohexane

3,5-dinitro-benzoic acid-(trans-4-methyl-cyclohexyl ester)

Refernces

• 1、 Bergander, Klaus,Glorius, Frank,Heusler, Arne,Wollenburg, Marco. "Trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives". . p. 11365 - 11370. Retrieved 2020/11/24.
• 2、 Murugesan, Kathiravan,Senthamarai, Thirusangumurugan,Alshammari, Ahmad S.,Altamimi, Rashid M.,Kreyenschulte, Carsten,Pohl, Marga-Martina,Lund, Henrik,Jagadeesh, Rajenahally V.,Beller, Matthias. "Cobalt-Nanoparticles Catalyzed Efficient and Selective Hydrogenation of Aromatic Hydrocarbons". . p. 8581 - 8591. Retrieved 2019/09/12.