1,4-Dimethylcyclohexanol

Base Information

• Chemical Name: 1,4-Dimethylcyclohexanol
• CAS No.: 5402-28-8
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2906199090
• NSC Number: 5100
• DSSTox Substance ID: DTXSID80277935
• Nikkaji Number: J1.842.217D,J1.842.218B
• Mol file: 5402-28-8.mol

Synonyms:1,4-dimethylcyclohexanol;5402-28-8;1,4-dimethylcyclohexan-1-ol;NSC5100;1.4-Dimethylcyclohexanol-1;SCHEMBL499143;SCHEMBL5584997;SCHEMBL6758325;SCHEMBL7909495;SCHEMBL24240963;DTXSID80277935;NSC 5100;NSC-5100;1,4beta-Dimethylcyclohexane-1alpha-ol;AKOS009995772;1,4alpha-Dimethylcyclohexane-1alpha-ol;CS-0353229;EN300-365504

Chemical Property of 1,4-Dimethylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.377mmHg at 25°C
• Boiling Point: 174.3°Cat760mmHg
• Flash Point: 66.6°C
• PSA: 20.23000
• Density: 0.903g/cm³
• LogP: 1.94750
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 90.7

Purity/Quality:

99% ^*data from raw suppliers

1,4-Dimethylcyclohexanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC(CC1)(C)O

Technology Process of 1,4-Dimethylcyclohexanol

There total 10 articles about 1,4-Dimethylcyclohexanol 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: 57.0%

methylmagnesium bromide (75-16-1) + 1-methylcyclohexan-4-one (589-92-4) → 1,4-dimethylcyclohexan-1-ol (5402-28-8)

Guidance literature:

methylmagnesium bromide; In diethyl ether; at 20 ℃; for 0.5h; Schlenk technique; Inert atmosphere;

1-methylcyclohexan-4-one; In diethyl ether; at 0 - 20 ℃; for 10h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.0c02513

Reference yield: 25.0%

1-methylcyclohexan-4-one (589-92-4) + methyl iodide (74-88-4) → 1,4-dimethylcyclohexan-1-ol (5402-28-8)

Guidance literature:

With magnesium; In diethyl ether; at 20 ℃; for 16h;

Reference yield:

1,4 dimethylcyclohexane (589-90-2) → 1,4-dimethylcyclohexan-1-ol (5402-28-8) + 2,5-dimethylcyclohexanol (3809-32-3)

Guidance literature:

With oxygen; In neat (no solvent); at 120 - 140 ℃; Product distribution;

upstream raw materials:

methyl magnesium iodide

1-methylcyclohexan-4-one

methyllithium

methyl iodide

Downstream raw materials:

1,2-dibromo-1,4-dimethyl-cyclohexane

1,4-dimethyl-cyclohexane-1,2-diol

2,5-dimethylcyclohexanone

1,4-dimethylcyclohex-1-ene

Refernces

• 1、 Aggarwal, Varinder K.,Madhavachary, Rudrakshula,Noble, Adam,Shu, Chao. "Photoinduced Fragmentation Borylation of Cyclic Alcohols and Hemiacetals". supporting information. p. 7213 - 7218. Retrieved 2020/10/12.
• 2、 Engel, Paul S.,Robertson, Donald M.,Scholz, John N.,Shine, Henry J.. "Reaction of Azoalkanes with Isolable Cation Radical Salts". . p. 6178 - 6187. Retrieved 2007/10/02.