4-Cyclohexylcyclohexanol

Base Information

• Chemical Name: 4-Cyclohexylcyclohexanol
• CAS No.: 2433-14-9
• Molecular Formula: C12H22O
• Molecular Weight: 182.306
• Hs Code.: 2906199090
• European Community (EC) Number: 219-418-1
• NSC Number: 4177
• UNII: 2J8AJ0CGGU,895YPF8KUA
• DSSTox Substance ID: DTXSID3040722
• Nikkaji Number: J2.741.449D,J101.935J
• Wikidata: Q81976279,Q27254813,Q27270006
• ChEMBL ID: CHEMBL1890154
• Mol file: 2433-14-9.mol

Synonyms:4-Cyclohexylcyclohexanol;2433-14-9;[1,1'-Bi(cyclohexan)]-4-ol;7335-11-7;[1,1'-Bicyclohexyl]-4-ol;cis-4-cyclohexylcyclohexanol;[Bicyclohexyl]-4-ol;4-cyclohexylcyclohexan-1-ol;cis-[1,1'-Bi(cyclohexan)]-4-ol;trans-4-cyclohexylcyclohexanol;[1,1-Bi(cyclohexan)]-4-ol;4-Cyclohexylcyclohexanol, trans-;2J8AJ0CGGU;UNII-895YPF8KUA;4-cyclohexyl-1-cyclohexanol;895YPF8KUA;UNII-4UQI40E83Z;(1,1'-Bicyclohexyl)-4-ol;4-Cyclohexylcyclohexanol, cis-;7335-42-4;DTXSID3040722;Cyclohexanol, 4-cyclohexyl-, cis-;EINECS 219-418-1;(1,1'-Bicyclohexyl)-4-ol, cis-;MFCD00060071;AI3-01133;(1s,4s)-[1,1'-Bi(cyclohexan)]-4-ol;NSC4177;bi(cyclohexan)-4-ol;UNII-2J8AJ0CGGU;4-hydroxycyclohexylcyclohexane;SCHEMBL787666;4UQI40E83Z;SCHEMBL9396681;CHEMBL1890154;DTXCID1020722;SCHEMBL23715056;[1,1'-bi(cyclohexane)]-4-ol;(1s,4s)-4-cyclohexylcyclohexanol;NSC 4177;NSC-4177;4alpha-Cyclohexyl-1beta-cyclohexanol;Tox21_301763;MFCD13185038;AKOS015856373;SB83936;SB84286;NCGC00164229-01;NCGC00164229-02;NCGC00255601-01;AS-58794;(1s,4s)-[1,1-Bi(cyclohexan)]-4-ol;CAS-2433-14-9;(1s,4s)-[1,1\'-Bi(cyclohexan)]-4-ol;FT-0634272;FT-0652422;D89256;EN300-195755;F11898;A817231;A857001;A877964;Q27254813;Q27270006;Z1255486288

Chemical Property of 4-Cyclohexylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.000355mmHg at 25°C
• Melting Point: 94-98 °C
• Refractive Index: 1.51
• Boiling Point: 283.9 °C at 760 mmHg
• PKA: 15.31±0.40(Predicted)
• Flash Point: 118.6 °C
• PSA: 20.23000
• Density: 0.993 g/cm³
• LogP: 3.11780
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 182.167065321
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

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

4-Cyclohexylcyclohexanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2CCC(CC2)O

Technology Process of 4-Cyclohexylcyclohexanol

There total 4 articles about 4-Cyclohexylcyclohexanol 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:

4-methoxylbiphenyl (613-37-6) → bicyclohexyl-4-ol (2433-14-9)

Guidance literature:

With hydrogen; lanthanum(lll) triflate; In isopropyl alcohol; at 140 ℃; for 12h; under 37503.8 Torr; Autoclave;

DOI:10.1039/c6gc01955b

Reference yield:

4-phenylalanine (92-67-1) → 4-cyclohexylcyclohexanone (92-68-2) + cyclohexylcyclohexane (92-51-3) + bicyclohexyl-4-ol (2433-14-9)

Guidance literature:

With water; hydrogen; palladium on activated charcoal; at 150 ℃; for 3h; under 45003.6 - 60004.8 Torr; extractive hydrogenation in the presence of hydrolyzed and nonhydrolyzed hemoglobin;

DOI:10.1021/ac00079a039

Reference yield:

p-cyclohexylphenol (1131-60-8) → bicyclohexyl-4-ol (2433-14-9)

Guidance literature:

With hydrogen; chromium(VI) oxide; nickel(II) oxide;

upstream raw materials:

p-cyclohexylphenol

4-phenylalanine

4-methoxylbiphenyl

Downstream raw materials:

biphenyl

4-cyclohexyl-hexanoic acid

3-cyclohexyl-adipic acid

Phenoxy-acetic acid bicyclohexyl-4-yl ester

Refernces

• 1、 Cui, Xinjiang,Yuan, Hangkong,Junge, Kathrin,Topf, Christoph,Beller, Matthias,Shi, Feng. "A stable and practical nickel catalyst for the hydrogenolysis of C-O bonds". . p. 305 - 310. Retrieved 2017/01/24.