1-Cyclohexylpropan-2-ol

Base Information

• Chemical Name: 1-Cyclohexylpropan-2-ol
• CAS No.: 76019-86-8
• Molecular Formula: C9H18 O
• Molecular Weight: 142.241
• European Community (EC) Number: 278-361-0
• DSSTox Substance ID: DTXSID40997364
• Nikkaji Number: J319.164H
• Mol file: 76019-86-8.mol

Synonyms:1-Cyclohexylpropan-2-ol;76019-86-8;EINECS 278-361-0;CYCLOHEXANEETHANOL, A-METHYL-, (S)-;1-cyclohexyl-2-propanol;SCHEMBL1037969;DTXSID40997364;AKOS011901407;CS-0278522;EN300-296476

Chemical Property of 1-Cyclohexylpropan-2-ol

Chemical Property:

• Vapor Pressure: 0.0677mmHg at 25°C
• Boiling Point: 203.3°C at 760 mmHg
• Flash Point: 85.7°C
• PSA: 20.23000
• Density: 0.897g/cm³
• LogP: 2.33760
• XLogP3: 3.2
• 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% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1CCCCC1)O

Technology Process of 1-Cyclohexylpropan-2-ol

There total 13 articles about 1-Cyclohexylpropan-2-ol 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: 85.0%

4-cyclohexyl-butan-2-one (103-78-6) → 1-cyclohexyl-2-propanol (76019-86-8)

Guidance literature:

4-cyclohexyl-butan-2-one; With n-butyllithium; 1-(2-hydroxyethyl)-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate; iron(II) acetate; In tetrahydrofuran; at 65 ℃; for 3h; Inert atmosphere;

With water; sodium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/adsc.201100606

Reference yield: 82.0%

Toluene-4-sulfonic acid (2S,3S)-3-cyclohexyl-oxiranylmethyl ester (139926-10-6) → 1-cyclohexyl-2-propanol (76019-86-8)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; -15 deg C to r.t.;

DOI:10.1016/S0040-4039(00)77666-0

Reference yield: 68.0%

(1-cyclohexylpropan-2-yl)(phenyl)silane → 1-cyclohexyl-2-propanol (76019-86-8)

Guidance literature:

(1-cyclohexylpropan-2-yl)(phenyl)silane; With tetrafluoroboric acid diethyl ether; In dichloromethane; at 0 - 25 ℃; for 2h; Schlenk technique; Inert atmosphere;

With potassium fluoride; dihydrogen peroxide; potassium hydrogencarbonate; In tetrahydrofuran; methanol; dichloromethane; water; for 18h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1002/anie.201601197

upstream raw materials:

isopropyl alcohol

cyclohexanol

C₁₂H₂₄OSi

Toluene-4-sulfonic acid (2S,3S)-3-cyclohexyl-oxiranylmethyl ester

Downstream raw materials:

4-cyclohexyl-butan-2-one

(2-chloropropyl)cyclohexane