2-Cyclohexyl-1-propanol

Base Information

• Chemical Name: 2-Cyclohexyl-1-propanol
• CAS No.: 5442-00-2
• Deprecated CAS: 86990-95-6
• Molecular Formula: C9H18O
• Molecular Weight: 142.241
• Hs Code.: 2906199090
• European Community (EC) Number: 226-632-9
• NSC Number: 20786
• UNII: 22H972KB64
• DSSTox Substance ID: DTXSID3052199
• Nikkaji Number: J195.953K
• Wikidata: Q27253651
• Mol file: 5442-00-2.mol

Synonyms:2-cyclohexylpropan-1-ol;Cyclohexaneethanol, .beta.-methyl-;

Chemical Property of 2-Cyclohexyl-1-propanol

Chemical Property:

• Vapor Pressure: 0.0374mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 213°C at 760 mmHg
• Flash Point: 92.2°C
• PSA: 20.23000
• Density: 0.911g/cm³
• LogP: 2.19510
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 84.7

Purity/Quality:

99% HPLC ^*data from raw suppliers

2-Cyclohexylpropan-1-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)C1CCCCC1

Technology Process of 2-Cyclohexyl-1-propanol

There total 23 articles about 2-Cyclohexyl-1-propanol 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: 87.0%

2-cyclohexyl-2-methyloxirane (25910-98-9) → 2-cyclohexylpropan-1-ol (5442-00-2)

Guidance literature:

With t-butyltitanocene dichloride; phenylsilane; potassium carbonate; allylmagnesium bromide; In tetrahydrofuran; diethyl ether; acetone; for 72h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1002/anie.201601242

Reference yield: 84.0%

Ethyl 2-cyclohexylpropionate (2511-00-4) → 2-cyclohexylpropan-1-ol (5442-00-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2.5h; Inert atmosphere;

Reference yield: 62.0%

formic acid (64-18-6) + vinylcyclohexane (695-12-5,25498-06-0) → 3-cyclohexylpropan-1-ol (1124-63-6) + 2-cyclohexylpropan-1-ol (5442-00-2)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; sodium formate; lithium chloride; at 150 ℃; for 24h; Autoclave; Ionic liquid;

DOI:10.1002/adsc.201200748

upstream raw materials:

(S)-2-phenyl-1-propanol

(RS)-2-phenyl-1-propanol

vinylcyclohexane

carbon monoxide

Downstream raw materials:

(2-cyclohexylpropanal)

(E)-5-cyclohexyl-3-methylhex-3-enoate

(E)-5-cyclohexyl-3-methylhex-3-enol

(2S)-(+)-2-cyclohexyl-1-propanal