4-(trans-4-Ethylcyclohexyl)phenol

Base Information

• Chemical Name: 4-(trans-4-Ethylcyclohexyl)phenol
• CAS No.: 89100-78-7
• Molecular Formula: C14H20 O
• Molecular Weight: 204.31
• Hs Code.: 2907199090
• European Community (EC) Number: 618-236-3
• DSSTox Substance ID: DTXSID001300966
• Nikkaji Number: J1.629.069F
• Mol file: 89100-78-7.mol

Synonyms:4-(TRANS-4-ETHYLCYCLOHEXYL)PHENOL;89100-78-7;4-(4-ethylcyclohexyl)phenol;150763-12-5;Phenol, 4-(4-ethylcyclohexyl)-, trans-;4-[(1S,4R)-4-ETHYLCYCLOHEXYL]PHENOL;Phenol, 4-(4-ethylcyclohexyl)-;SCHEMBL5478613;SCHEMBL8568671;SCHEMBL15725349;RGVBFENXGDCBAA-HAQNSBGRSA-N;DTXSID001300966;4-(Trans-4-ethyl cyclohexyl)phenol;4-(trans-4-ethyl-cyclohexyl)phenol;MFCD06658179;AKOS015899930;4-((1r,4r)-4-ethylcyclohexyl)phenol;DS-3826;4-(4alpha-Ethylcyclohexane-1beta-yl)phenol;CS-0153903;E1252;FT-0642112;F16518

Chemical Property of 4-(trans-4-Ethylcyclohexyl)phenol

Chemical Property:

• Melting Point: 127-129 ºC
• Boiling Point: 324.5±21.0 °C(Predicted)
• PKA: 10.21±0.30(Predicted)
• PSA: 20.23000
• Density: 0.988
• LogP: 4.07600
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 204.151415257
• Heavy Atom Count: 15
• Complexity: 174

Purity/Quality:

99%, ^*data from raw suppliers

4-(Trans-4-Ethylcyclohexyl)Phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CCC(CC1)C2=CC=C(C=C2)O

Technology Process of 4-(trans-4-Ethylcyclohexyl)phenol

There total 2 articles about 4-(trans-4-Ethylcyclohexyl)phenol 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-(4-Ethyl-cyclohexyl)-phenylamine (696583-52-5) → 4-(trans-4-ethylcyclohexyl)phenol (89100-78-7)

Guidance literature:

With sulfuric acid; sodium nitrite; 2.) heat;

DOI:10.1080/00268948408072440

Reference yield:

N-[4-(4-Ethyl-cyclohexyl)-phenyl]-acetamide → 4-(trans-4-ethylcyclohexyl)phenol (89100-78-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH

2: 1.) NaNO₂, H₂SO₄ / 2.) heat

With sodium hydroxide; sulfuric acid; sodium nitrite;

DOI:10.1080/00268948408072440

Reference yield: 87.0%

4-(trans-4-ethylcyclohexyl)phenol (89100-78-7) → 4-(4-ethylcyclohexyl)phenyl fluorosulfate

Guidance literature:

With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 24.25h;

DOI:10.1002/anie.202013976

upstream raw materials:

4-(4-Ethyl-cyclohexyl)-phenylamine

Downstream raw materials:

4-ethyl(4-trans-cyclohexyl)benzoic acid

Refernces