2,2,6-Trimethylcyclohexanemethanol

Base Information

• Chemical Name: 2,2,6-Trimethylcyclohexanemethanol
• CAS No.: 34026-01-2
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• Hs Code.: 2906199090
• European Community (EC) Number: 251-798-4
• DSSTox Substance ID: DTXSID10955597
• Nikkaji Number: J287.850J
• Mol file: 34026-01-2.mol

Synonyms:2,2,6-Trimethylcyclohexanemethanol;34026-01-2;(2,2,6-trimethylcyclohexyl)methanol;EINECS 251-798-4;SCHEMBL4666688;DTXSID10955597

Chemical Property of 2,2,6-Trimethylcyclohexanemethanol

Chemical Property:

• Vapor Pressure: 0.0476mmHg at 25°C
• Boiling Point: 209.1°Cat760mmHg
• Flash Point: 87.6°C
• PSA: 20.23000
• Density: 0.851g/cm³
• LogP: 2.44110
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(C1CO)(C)C

Technology Process of 2,2,6-Trimethylcyclohexanemethanol

There total 9 articles about 2,2,6-Trimethylcyclohexanemethanol 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%

(1R,6S)-2,2,6-trimethylcyclohexyl carbaldehyde (4350-74-7,13155-57-2) → (2,2,6-trimethylcyclohexyl)methanol (34026-01-2)

Guidance literature:

With C₂₈H₄₂FeO₄Si₂; hydrogen; potassium carbonate; In water; isopropyl alcohol; at 100 ℃; for 17h; under 22502.3 Torr; Inert atmosphere;

DOI:10.1002/anie.201301239

Reference yield:

2,6,6-trimethylcyclohex-1-enecarbaldehyde (432-25-7) → (2,2,6-trimethylcyclohexyl)methanol (34026-01-2) + β-cyclogeraniol (472-20-8)

Guidance literature:

With carbon monoxide; C₁₂H₁₀FeO₄; potassium carbonate; In water; dimethyl sulfoxide; at 100 ℃; for 20h; under 7500.75 Torr; Overall yield = 88 %Chromat.; Inert atmosphere;

DOI:10.1002/chem.201203059

Reference yield:

→ (2,2,6-trimethylcyclohexyl)methanol (34026-01-2)

Guidance literature:

With acetic acid; platinum; substances of doubtful configurative homogeneity; Hydrogenation;

upstream raw materials:

C-(2,2,6-trimethyl-cyclohexyl)-methylamine

(1R,6S)-2,2,6-trimethylcyclohexyl carbaldehyde

2,6,6-trimethylcyclohex-1-enecarbaldehyde

(+/-)-2.2.6c-trimethyl-cyclohexane-carboxylic acid-(1r)-methyl ester

Downstream raw materials:

cis-2,2,6-trimethylcyclohexanecarboxaldehyde

trans-2,2,6-trimethylcyclohexanecarboxaldehyde

Refernces

• 1、 Fleischer, Steffen,Zhou, Shaolin,Junge, Kathrin,Beller, Matthias. "General and highly efficient iron-catalyzed hydrogenation of aldehydes, ketones, and α,β-unsaturated aldehydes". . p. 5120 - 5124. Retrieved 2013/06/27.
• 2、 -. "OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE". Page/Page column 160. . Retrieved 2010/12/31.