2,6-DIMETHYLCYCLOHEXANOL

Base Information

• Chemical Name: 2,6-DIMETHYLCYCLOHEXANOL
• CAS No.: 5337-72-4
• Molecular Formula: C8H16O
• Molecular Weight: 128.214
• Hs Code.: 2906120090
• European Community (EC) Number: 226-264-9
• NSC Number: 821
• DSSTox Substance ID: DTXSID70871123
• Nikkaji Number: J100.640A
• ChEMBL ID: CHEMBL4533790
• Mol file: 5337-72-4.mol

Synonyms:2,6-Dimethylcyclohexanol;2,6-dimethylcyclohexan-1-ol;Cyclohexanol, 2,6-dimethyl-;

Chemical Property of 2,6-DIMETHYLCYCLOHEXANOL

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 0.373mmHg at 25°C
• Melting Point: 32.5°C
• Refractive Index: 1.4585-1.4615
• Boiling Point: 174.4 °C
• PKA: 15.35±0.60(Predicted)
• Flash Point: 55 °C
• PSA: 20.23000
• Density: 0.94
• LogP: 1.80340
• Storage Temp.: Flammables area
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

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

2,6-Dimethylcyclohexanol ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(C1O)C

Technology Process of 2,6-DIMETHYLCYCLOHEXANOL

There total 10 articles about 2,6-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: 94.0%

2.6-dimethylphenol (576-26-1,25134-01-4) → 2,6-dimethylcyclohexanol (5337-72-4,39170-83-7)

Guidance literature:

With 10% Ru/C; hydrogen; In isopropyl alcohol; at 60 ℃; for 8h; under 3800.26 Torr;

DOI:10.1002/chem.200900361

Reference yield: 87.0%

2,6-dimethylcyclohexanone (2816-57-1) + dichloromethane (75-09-2) → 2,6-dimethylcyclohexanol (5337-72-4,39170-83-7) + 2,6-Dimethylmethylidenecyclohexanone (95177-47-2,19781-47-6)

Guidance literature:

With titanium tetrachloride; magnesium; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

DOI:10.1021/ol0478887

Reference yield: 42.0%

2,6-dimethylcyclohexanone (2816-57-1) → 2,6-dimethylcyclohexanol (5337-72-4,39170-83-7) + cis,cis-2,6-dimethylcyclohexanol (39170-84-8,39170-83-7) + trans,trans-2,6-dimethylcyclohexanol (42846-29-7,39170-83-7)

Guidance literature:

With hydrogen; Nic; In ethanol; at 25 ℃; under 760 Torr;

DOI:10.1021/jo01298a037

upstream raw materials:

2,6-dimethylcyclohexanone

2.6-dimethylphenol

hydrogenchloride

acetic acid

Downstream raw materials:

2,6-dimethylcyclohexanone

1,3-dimethylcyclohexane

1,3-dimethylcyclohexene

2,4-dimethylcyclohexene