2-sec-Butylcyclohexanol

Base Information

• Chemical Name: 2-sec-Butylcyclohexanol
• CAS No.: 4632-01-3
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• Hs Code.: 2906199090
• European Community (EC) Number: 225-054-4
• NSC Number: 4395
• UNII: ECZ3JNG9WJ
• DSSTox Substance ID: DTXSID50963550
• Nikkaji Number: J47.450I
• Mol file: 4632-01-3.mol

Synonyms:2-sec-Butylcyclohexanol;4632-01-3;Cyclohexanol, 2-(1-methylpropyl)-;2-(BUTAN-2-YL)CYCLOHEXAN-1-OL;2-sec-Butylcyclohexan-1-ol;Cyclohexanol, 2-sec-butyl-;NSC-4395;AI3-18888;2-SEC-BUTYL-CYCLOHEXANOL;NSC4395;ECZ3JNG9WJ;SCHEMBL4840529;2-(1-Methylpropyl)cyclohexanol;DTXSID50963550;NSC 4395;EINECS 225-054-4;AKOS017977240;EN300-1238700

Chemical Property of 2-sec-Butylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.0257mmHg at 25°C
• Boiling Point: 219°Cat760mmHg
• Flash Point: 88.5°C
• PSA: 20.23000
• Density: 0.908g/cm³
• LogP: 2.58360
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 111

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1CCCCC1O

Technology Process of 2-sec-Butylcyclohexanol

There total 7 articles about 2-sec-Butylcyclohexanol 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: 33.0%

cyclohexene oxide (286-20-4) + sec.-butyllithium (598-30-1) → 2-(butan-2-yl)cyclohexan-1-ol (4632-01-3,130060-08-1) + (-)(R)-1-sec-butyl-cyclohexene-(1) (211872-49-0)

Guidance literature:

With (-)-sparteine; In diethyl ether; at -78 - 25 ℃;

Reference yield:

2-sec-butyl-cyclohexylamine (83637-23-4) → 2-sec.-butylcyclohexanol (4632-01-3)

Guidance literature:

With cis-nitrous acid;

Reference yield:

butyraldehyde phenylhydrazone (940-54-5) → 2-sec.-butylcyclohexanol (4632-01-3)

Guidance literature:

Multi-step reaction with 3 steps

1: copper (I)-chloride / 170 - 200 °C

2: nickel; decalin / 235 °C / Hydrogenation_.unter Druck

3: nitrous acid

With cis-nitrous acid; nickel; copper(l) chloride; decalin;

upstream raw materials:

2-sec-butyl-cyclohexylamine

butyraldehyde phenylhydrazone

3-ethyl-1H-indole

cyclohexene oxide

Downstream raw materials:

2-sec-butylphenol

Refernces