4-Propylcyclohexanol

Base Information

• Chemical Name: 4-Propylcyclohexanol
• CAS No.: 77866-58-1
• Molecular Formula: C9H18O
• Molecular Weight: 142.241
• Hs Code.: 2906199090
• European Community (EC) Number: 616-534-8
• DSSTox Substance ID: DTXSID501311691
• Nikkaji Number: J174.551D,J3.537.734D,J3.537.735B
• Mol file: 77866-58-1.mol

Synonyms:4-Propylcyclohexanol;52204-65-6;4-propylcyclohexan-1-ol;trans-4-Propylcyclohexanol;77866-58-1;TRANS-4-N-PROPYLCYCLOHEXANOL;Cyclohexanol, 4-propyl-;4-propyl-1-cyclohexanol;4-n-propylcyclohexanol;cis-4-Propylcyclohexan-1-ol;SCHEMBL527613;SCHEMBL4602788;SCHEMBL9593814;SCHEMBL10305026;SCHEMBL14724664;AMY3575;4beta-Propylcyclohexane-1alpha-ol;YVPZFPKENDZQEJ-KYZUINATSA-N;YVPZFPKENDZQEJ-UHFFFAOYSA-N;4alpha-Propylcyclohexane-1alpha-ol;DTXSID501311691;CCA20465;CDA86658;trans-1-hydroxy-4-propylcyclohexane;MFCD00091618;MFCD11114411;AKOS006309033;AKOS009158160;BS-23872;TS-01852;TS-04387;(1S,4R)-4-PROPYLCYCLOHEXAN-1-OL;CS-0215023;CS-0530078;FT-0619441;P1874;P1882;J3.537.734D;J3.537.735B;EN300-215078;N10575;A828975;A851979

Chemical Property of 4-Propylcyclohexanol

Chemical Property:

• Melting Point: 36.9°C (estimate)
• Refractive Index: 1.4610 to 1.4650
• Boiling Point: 208°C(lit.)
• PKA: 15.32±0.40(Predicted)
• PSA: 20.23000
• Density: 0.8998
• LogP: 2.33760
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 82.7

Purity/Quality:

97% ^*data from raw suppliers

trans-4-Propylcyclohexanol >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCC(CC1)O

Technology Process of 4-Propylcyclohexanol

There total 35 articles about 4-Propylcyclohexanol 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: 59.0%

4-n-Propylphenol (645-56-7) → 4-propyl-cyclohexanone (40649-36-3) + trans-4-propylcyclohexanol (77866-58-1) + cis-4-Propylcyclohexanol (98790-22-8)

Guidance literature:

With chloro(1,5-hexadiene)rhodium(I) dimer; hydrogen; tetra(n-butyl)ammonium hydrogensulfate; boric acid; sodium phosphate; citric acid; In hexane; for 50h; under 760 Torr; Ambient temperature;

DOI:10.1139/v97-149

Reference yield:

→ 3-cyclohexylpropan-1-ol (1124-63-6) + trans-4-propylcyclohexanol (77866-58-1)

Guidance literature:

With 1,4-dioxane; copper chromite; at 270 - 280 ℃; under 147102 Torr; Hydrogenation;

DOI:10.1021/ja01246a050

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone (2196-18-1) → 3-cyclohexylpropan-1-ol (1124-63-6) + trans-4-propylcyclohexanol (77866-58-1)

Guidance literature:

at 280 ℃; under 154457 Torr; Hydrogenation;

DOI:10.1021/ja01246a050

upstream raw materials:

Estragole

dihydrosafrole

1-allyl-3,4-methylenedioxybenzene

4-allylguaiacol

Downstream raw materials:

4-propyl-cyclohexanone

6-n-Octyl-naphthalen-2-carbonsaeure-trans-4-n-propyl-cyclohexylester

6-n-Butyl-naphthalen-2-carbonsaeure-trans-4-n-propyl-cyclohexylester

propylcyclohexane