4-Cyclohexyl-1-butanol

Base Information

• Chemical Name: 4-Cyclohexyl-1-butanol
• CAS No.: 4441-57-0
• Molecular Formula: C10H20O
• Molecular Weight: 156.268
• Hs Code.: 2906199090
• European Community (EC) Number: 224-664-8
• NSC Number: 44913
• UNII: X4YG6ZD5FH
• DSSTox Substance ID: DTXSID90196163
• Nikkaji Number: J205.824C
• Wikidata: Q72459876
• Mol file: 4441-57-0.mol

Synonyms:4-cyclohexylbutan-1-ol;4441-57-0;4-Cyclohexyl-1-butanol;Cyclohexanebutanol;Cyclohexylbutan-1-ol;4-Cyclohexyl-butan-1-ol;Cyclohexanebutanol-;EINECS 224-664-8;NSC-44913;AI3-38561;4-cyclohexylbutanol;NSC44913;Cyclohexan- Butanol;4-cyclohexanebutanol;Cyclohexane-1-butanol;X4YG6ZD5FH;SCHEMBL80440;NZEBWPHHIQAVOH-UHFFFAOYSA-;DTXSID90196163;4-Cyclohexyl-1-butanol, >=95%;MFCD00001531;NSC 44913;AKOS009156877;BS-49181;CS-0155328;FT-0635299;F53310;EN300-1625341;A826571;A1-11756

Chemical Property of 4-Cyclohexyl-1-butanol

Chemical Property:

• Vapor Pressure: 0.0103mmHg at 25°C
• Refractive Index: n20/D 1.466(lit.)
• Boiling Point: 233.5 °C at 760 mmHg
• Flash Point: 108.9 °C
• PSA: 20.23000
• Density: 0.895 g/cm³
• LogP: 2.72930
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 84.9

Purity/Quality:

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

4-Cyclohexyl-1-butanol ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)CCCCO

Technology Process of 4-Cyclohexyl-1-butanol

There total 15 articles about 4-Cyclohexyl-1-butanol 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: 98.0%

4-cyclohexylbutanoic acid (4441-63-8) → 4-cyclohexylbutan-1-ol (4441-57-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield:

(E)-but-2-en-1-ylcyclohexane (62018-57-9,58498-93-4,5860-28-6) → 4-cyclohexyl-2-butanol (10528-67-3) + 4-cyclohexylbutan-1-ol (4441-57-0)

Guidance literature:

(E)-but-2-en-1-ylcyclohexane; With (1,3-dimethylimidazol-2-ylidene)borane; bis(trifluoromethanesulfonyl)amide; In 1,2-dichloro-ethane; at 50 ℃; for 24h; Inert atmosphere;

With dihydrogen peroxide; sodium hydroxide; In methanol; water; 1,2-dichloro-ethane; at 25 ℃; for 16h;

DOI:10.1021/ja305061c

Reference yield:

(E)-1-cyclohexyl-1-butene → 4-cyclohexyl-2-butanol (10528-67-3) + 4-cyclohexylbutan-1-ol (4441-57-0)

Guidance literature:

(E)-1-cyclohexyl-1-butene; With (1,3-dimethylimidazol-2-ylidene)borane; bis(trifluoromethanesulfonyl)amide; In 1,2-dichloro-ethane; at 50 ℃; for 24h; Inert atmosphere;

With dihydrogen peroxide; sodium hydroxide; In methanol; water; 1,2-dichloro-ethane; at 25 ℃; for 16h;

DOI:10.1021/ja305061c

upstream raw materials:

ethanol

4-cyclohexylbutanoic acid

oxirane

1-bromo-2-cyclohexylethane

Downstream raw materials:

C₁₆H₃₀O₆

Refernces

• 1、 -. "CYCLOALKYL-CONTAINING CARBOXYLIC ACIDS AND USES THEREOF". Page/Page column 47; 62; 85. . Retrieved 2021/06/26.
• 2、 Achonduh, George,Yang, Qian,Alper, Howard. "From alkenes to alcohols by cobalt-catalyzed hydroformylation-reduction". supporting information. p. 1241 - 1246. Retrieved 2015/03/05.