Cyclohexanemethanol, 1-phenyl-

Base Information

• Chemical Name: Cyclohexanemethanol, 1-phenyl-
• CAS No.: 68692-77-3
• Molecular Formula: C13H18O
• Molecular Weight: 190.285
• European Community (EC) Number: 272-081-2
• DSSTox Substance ID: DTXSID60218826
• Nikkaji Number: J75.420J
• Wikidata: Q83095746
• Mol file: 68692-77-3.mol

Synonyms:(1-phenylcyclohexyl)methanol;(1-Phenylcyclohexane)methanol;Cyclohexanemethanol, 1-phenyl-;68692-77-3;1-Phenyl cyclohexanemethanol;BRN 2329234;EINECS 272-081-2;1-phenylcyclohexanemethanol;4-06-00-03934 (Beilstein Handbook Reference);(1-phenyl-cyclohexyl)-methanol;SCHEMBL2856019;DTXSID60218826;AKOS006276530;LS-56917

Chemical Property of Cyclohexanemethanol, 1-phenyl-

Chemical Property:

• Vapor Pressure: 0.000368mmHg at 25°C
• Melting Point: 54-56 °C(Solv: hexane (110-54-3))
• Boiling Point: 305.1°C at 760 mmHg
• PKA: 15.05±0.10(Predicted)
• Flash Point: 128.1°C
• PSA: 20.23000
• Density: 1.014g/cm³
• LogP: 2.88080
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

(1-Phenylcyclohexane)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(CO)C2=CC=CC=C2

Technology Process of Cyclohexanemethanol, 1-phenyl-

There total 7 articles about Cyclohexanemethanol, 1-phenyl- 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: 91.7%

1-phenylcyclohexane-1-carbaldehyde (22612-69-7) → (1-phenylcyclohexyl)methanol (68692-77-3)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 - 20 ℃; for 2h;

Reference yield: 62.0%

methyl 1-phenyl-1-cyclohexanecarboxylate (17380-78-8) → (1-phenylcyclohexyl)methanol (68692-77-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating;

DOI:10.1021/jm00115a002

Reference yield:

1-phenyl-cyclohexanecarboxylic acid (1135-67-7) → (1-phenylcyclohexyl)methanol (68692-77-3)

Guidance literature:

With lithium aluminium tetrahydride;

upstream raw materials:

1-phenyl-cyclohexanecarboxylic acid

methyl 1-phenyl-1-cyclohexanecarboxylate

1-phenyl-1-cyclohexanecarbonitrile

1,5-dibromo-pentane

Downstream raw materials:

O-<2-<2-(diethylamino)ethoxy>ethyl>-1-phenyl-1-cyclohexanemethanol

1-phenyl-cyclohexanecarboxylic acid

(1-phenylcyclohexyl)acetonitrile

methanesulfonic acid 1-phenylcyclohexylmethyl ester