4-Butylcyclohexanol

Base Information

• Chemical Name: 4-Butylcyclohexanol
• CAS No.: 70568-60-4
• Molecular Formula: C₁₀H₂₀O
• Molecular Weight: 156.268
• Hs Code.: 2906199090
• DSSTox Substance ID: DTXSID6048204
• Nikkaji Number: J1.745.366A,J1.745.367J,J174.554I
• ChEMBL ID: CHEMBL3188226
• Mol file: 70568-60-4.mol

Synonyms:4-Butylcyclohexanol;70568-60-4;4-butylcyclohexan-1-ol;trans-4-n-butylcyclohexanol;67590-13-0;DTXSID6048204;trans-4-Butylcyclohexanol;4-n-butylcyclohexanol;Cyclohexanol,4-butyl-;4-butyl-1-cyclohexanol;trans-4-butyl-cyclohexanol;4-BUTYL-CYCLOHEXANOL;SCHEMBL42810;SCHEMBL2449584;4alpha-Butyl-1beta-cyclohexanol;CHEMBL3188226;DTXCID4028179;SCHEMBL14724955;4alpha-Butyl-1alpha-cyclohexanol;NUANGSLQWFBVEH-MGCOHNPYSA-N;VCA56860;Tox21_303529;MFCD01321147;AKOS005266594;AKOS015918111;SB83865;NCGC00257336-01;AS-57188;CAS-70568-60-4;B1930;CS-0312820;FT-0619165;FT-0756583;D88877;A836920

Chemical Property of 4-Butylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.0276mmHg at 25°C
• Melting Point: 83 °C
• Refractive Index: 1.462
• Boiling Point: 217.9 °C at 760 mmHg
• PKA: 15.32±0.40(Predicted)
• Flash Point: 87.9 °C
• PSA: 20.23000
• Density: 0.897 g/cm³
• LogP: 2.72770
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 93

Purity/Quality:

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

4-Butylcyclohexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1CCC(CC1)O

Technology Process of 4-Butylcyclohexanol

There total 6 articles about 4-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:

1,1-bis(4-hydroxyphenyl)-n-butane (4731-84-4) → 4-n-butylcyclohexanol (67590-13-0,67590-15-2,70568-60-4) + 4.4'-Dioxy-α-propyl-1.2.3.4.5.6-hexahydro-diphenylmethan + cyclohexanol (108-93-0)

Guidance literature:

at 220 ℃; Hydrogenation;

Reference yield:

1-(4-hydroxyphenyl)-butan-1-one (1009-11-6) → 4-n-butylcyclohexanol (67590-13-0,67590-15-2,70568-60-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / Zn-Hg, conc. HCl / acetic acid / 30 h / Heating

2: 74 percent / H₂ / Rh-C / ethanol / 60 °C / 3750.3 Torr

With hydrogenchloride; hydrogen; mercury; zinc; Rh on carbon; In ethanol; acetic acid;

Reference yield:

phenol (108-95-2,27073-41-2) → 4-n-butylcyclohexanol (67590-13-0,67590-15-2,70568-60-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / AlCl₃ / nitrobenzene / Ambient temperature

2: 87 percent / Zn-Hg, conc. HCl / acetic acid / 30 h / Heating

3: 74 percent / H₂ / Rh-C / ethanol / 60 °C / 3750.3 Torr

With hydrogenchloride; aluminium trichloride; hydrogen; mercury; zinc; Rh on carbon; In ethanol; acetic acid; nitrobenzene;

upstream raw materials:

1,1-bis(4-hydroxyphenyl)-n-butane

4-butylcyclohexanone

1-(4-hydroxyphenyl)-butan-1-one

phenol

Downstream raw materials:

p-(1-butylcyclohexyl)toluene

C₂₃H₃₈O₂

(R)-4-(6-(4-butylcyclohexyl)oxynaphthalen-2-yl)-4-methyloxazolidin-2-one

2-(4-Butyl-cyclohexyl)-propane-1,3-diol

Refernces

• 1、 Luppen, Jaymes Van,Lepoivre, Jozef,Lemiere, Guy,Alderweireldt, Frank. "ENZYMATIC "IN VITRO" REDUCTIONS OF KETONES. PART 12. REDUCTION OF 1-ALKYL-4-PIPERIDONES IN AN ETHANOL-NAD+-HLAD-SYSTEM.". . p. 749 - 761. Retrieved 2007/10/02.