(2-Methylbutyl)cyclohexane

Base Information

• Chemical Name: (2-Methylbutyl)cyclohexane
• CAS No.: 54105-77-0
• Molecular Formula: C11H22
• Molecular Weight: 154.296
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID50880738
• Mol file: 54105-77-0.mol

Synonyms:(2-Methylbutyl)cyclohexane;54105-77-0;2-methylbutylcyclohexane;(2-methyl butyl)cyclohexane;1-cyclohexyl-2-methylbutane;DTXSID50880738;DDQXBDLAGHZBMP-UHFFFAOYSA-N;AKOS006273831;FT-0690307

Chemical Property of (2-Methylbutyl)cyclohexane

Chemical Property:

• Vapor Pressure: 0.538mmHg at 25°C
• Boiling Point: 197.2°Cat760mmHg
• Flash Point: 63°C
• PSA: 0.00000
• Density: 0.795g/cm³
• LogP: 4.00290
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 154.172150702
• Heavy Atom Count: 11
• Complexity: 90.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)CC1CCCCC1

Technology Process of (2-Methylbutyl)cyclohexane

There total 3 articles about (2-Methylbutyl)cyclohexane 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:

(S)-(+)-2-Methyl-1-phenylbutan (40560-30-3) → (+)(S)-(2-methyl-butyl)-cyclohexane (54105-77-0)

Guidance literature:

With acetic acid; platinum; under 2206.5 Torr; Hydrogenation;

Reference yield:

1-(furan-2-yl)-4-hydroxypent-1-en-3-one → 3-pentylcyclohexane (26321-98-2) + propylcyclohexane (1678-92-8) + 2-pentylcyclohexane (61208-94-4) + 2-methylbutyl-cyclohexane (54105-77-0)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In water; at 163.84 ℃; for 8h; under 22502.3 Torr; High pressure;

DOI:10.1039/c5gc02414e

Reference yield:

furfural (98-01-1) → propylcyclohexane (1678-92-8) + 2-methylbutyl-cyclohexane (54105-77-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; (2-hydroxy-ethyl)ammonium acetate / water / 49.84 °C

2: hydrogen; 5%-palladium/activated carbon / water / 8 h / 163.84 °C / 22502.3 Torr / High pressure

With 5%-palladium/activated carbon; hydrogen; (2-hydroxy-ethyl)ammonium acetate; sodium hydroxide; In water; 1: |Aldol Condensation;

DOI:10.1039/c5gc02414e

upstream raw materials:

furfural

(S)-(+)-2-Methyl-1-phenylbutan