1-(1-Hydroxycyclopentyl)cyclohexanol

Base Information

• Chemical Name: 1-(1-Hydroxycyclopentyl)cyclohexanol
• CAS No.: 20170-99-4
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.279
• Hs Code.: 2906199090
• NSC Number: 57852
• DSSTox Substance ID: DTXSID00288846
• Nikkaji Number: J567.839K
• Wikidata: Q82025958
• Mol file: 20170-99-4.mol

Synonyms:20170-99-4;1-(1-hydroxycyclopentyl)cyclohexanol;1-(1-hydroxycyclopentyl)cyclohexan-1-ol;NSC57852;SCHEMBL4004633;DTXSID00288846;NSC-57852

Chemical Property of 1-(1-Hydroxycyclopentyl)cyclohexanol

Chemical Property:

• Vapor Pressure: 0.000195mmHg at 25°C
• Melting Point: 102-103 °C
• Boiling Point: 292.5°Cat760mmHg
• PKA: 15.45±0.20(Predicted)
• Flash Point: 135.5°C
• PSA: 40.46000
• Density: 1.154g/cm³
• LogP: 1.98670
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C2(CCCC2)O)O

Technology Process of 1-(1-Hydroxycyclopentyl)cyclohexanol

There total 2 articles about 1-(1-Hydroxycyclopentyl)cyclohexanol 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:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + cyclopentanone (120-92-3) → 1,1'-bicyclohexane-1,1'-diol (2888-11-1) + bicyclopentyl-1,1'-diol (5181-75-9) + 1-Cyclopentyl-cyclohexandiol-(1,1') (20170-99-4)

Guidance literature:

With aluminium; Title compound not separated from byproducts;

DOI:10.1021/jo00081a030

Reference yield:

→ 1-Cyclopentyl-cyclohexandiol-(1,1') (20170-99-4)

Guidance literature:

Cyclopentanon, Cyclohexanon;

Reference yield:

1-Cyclopentyl-cyclohexandiol-(1,1') (20170-99-4) → spiro[5.5]undecan-1-one (1781-83-5) + cycloheptanone (73223-32-2) + 1-(1-cyclopentenyl)-1-cyclohexene (27956-10-1)

Guidance literature:

With boron trifluoride diethyl etherate; magnesium sulfate; In dichloromethane; for 1h; Title compound not separated from byproducts;

DOI:10.1021/jo00081a030

upstream raw materials:

cyclohexanone

cyclopentanone

Downstream raw materials:

spiro[5.5]undecan-1-one

cycloheptanone

1-(1-cyclopentenyl)-1-cyclohexene

Refernces