Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-

Base Information

• Chemical Name: Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-
• CAS No.: 67634-11-1
• Molecular Formula: C11H22O
• Molecular Weight: 170.295
• Hs Code.: 2906 19 00
• European Community (EC) Number: 266-815-0
• UNII: BN3X10944G
• DSSTox Substance ID: DTXSID40867295
• Nikkaji Number: J333.246B
• Wikidata: Q27274762
• Mol file: 67634-11-1.mol

Synonyms:67634-11-1;Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-;2-tert-butyl-4-methylcyclohexanol;2-tert-butyl-4-methylcyclohexan-1-ol;UNII-BN3X10944G;BN3X10944G;EINECS 266-815-0;2-(1,1-dimethylethyl)-4-methylcyclohexanol;2-(1,1-Dimethylethyl)-4-methylcyclohexan-1-ol;SCHEMBL295227;DTXSID40867295;Q27274762;2 - (1,1 - dimethylethyl) - 4 - methylcyclohexan - 1 - ol

Chemical Property of Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-

Chemical Property:

• Vapor Pressure: 0.0243mmHg at 25°C
• Melting Point: 112-113°C
• Boiling Point: 219.9°Cat760mmHg
• PKA: 15.34±0.60(Predicted)
• Flash Point: 88.9°C
• PSA: 20.23000
• Density: 0.897g/cm³
• LogP: 2.82960
• Storage Temp.: Store below +30°C.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

2-tert-Butyl-4-methylcyclohexanol for synthesis ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(C1)C(C)(C)C)O

Technology Process of Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-

There total 3 articles about Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl- 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: 92.0%

2-tert-Butyl-4-methylphenol (2409-55-4) → 2-(1,1-dimethylethyl)-4-methyl cyclohexanol (67634-11-1)

Guidance literature:

With potassium hydroxide; Raney Ni-Al; water; at 90 ℃; for 18h;

DOI:10.3184/030823409X393637

Reference yield:

2-tert-Butyl-4-methylphenol (2409-55-4) → 2-(1,1-dimethylethyl)-4-methyl cyclohexanol (67634-11-1)

Guidance literature:

With nickel; at 195 - 220 ℃; optically inactive stereoisomer(ic) of mp: 113 degree; Hydrogenation;

DOI:10.1021/ja01235a044 DOI:10.1021/ja01229a034

Reference yield:

→ 2-(1,1-dimethylethyl)-4-methyl cyclohexanol (67634-11-1)

Guidance literature:

upstream raw materials:

2-tert-Butyl-4-methylphenol

Downstream raw materials:

2-tert-butyl-4-methyl-cyclohexanone

t-3-tert-Butyl-1-methyl-r-1-cyclohexancarbonsaeure

Refernces

• 1、 -. "Compounds having protected hydroxy groups". . . Retrieved 2008/06/13.