Tricyclohexylmethanol

Base Information

• Chemical Name: Tricyclohexylmethanol
• CAS No.: 17687-74-0
• Molecular Formula: C19H34O
• Molecular Weight: 278.478
• Hs Code.: 2906199090
• European Community (EC) Number: 241-674-8
• NSC Number: 146243
• UNII: Q4V7TY8LVB
• DSSTox Substance ID: DTXSID10170203
• Nikkaji Number: J236.141H
• Wikidata: Q83040100
• Mol file: 17687-74-0.mol

Synonyms:Tricyclohexylmethanol;17687-74-0;EINECS 241-674-8;NSC-146243;Cyclohexanemethanol, .alpha.,.alpha.-dicyclohexyl-;Tricyclohexylcarbinol;NSC146243;tricyclohexyl-methanol;Methanol, tricyclohexyl-;Q4V7TY8LVB;Tricyclohexylmethanol, 97%;SCHEMBL701478;MRGVKQSSSOCONZ-UHFFFAOYSA-;C19H34O;DTXSID10170203;AMY25179;C19-H34-O;Cyclohexanemethanol,a,a-dicyclohexyl-;AKOS024318880;NSC 146243;alpha,alpha-Dicyclohexylcyclohexanemethanol;AS-63875;C(O)(C1CCCCC1)(C2CCCCC2)C3CCCCC3;Cyclohexanemethanol, alpha,alpha-dicyclohexyl-;AC-776/41252576;J-011239

Chemical Property of Tricyclohexylmethanol

Chemical Property:

• Vapor Pressure: 4.02E-07mmHg at 25°C
• Melting Point: 94-96 °C(lit.)
• Refractive Index: 1.52
• Boiling Point: 374 °C at 760 mmHg
• Flash Point: 176.4 °C
• PSA: 20.23000
• Density: 0.999 g/cm³
• LogP: 5.45840
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 278.260965704
• Heavy Atom Count: 20
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Tricyclohexylmethanol 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)C(C2CCCCC2)(C3CCCCC3)O

Technology Process of Tricyclohexylmethanol

There total 11 articles about Tricyclohexylmethanol 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:

cyclohexyl chloride (542-18-7) + ethyl cyclohexanecarboxylate (3289-28-9) + pentane (109-66-0,8031-35-4,9078-70-0) → dicyclohexyl ketone (119-60-8) + Dicyclohexylmethanol (4453-82-1) + α,α-dicyclohexyl-cyclohexanemethanol (17687-74-0)

Guidance literature:

Reference yield:

cyclohexyl chloride (542-18-7) + ethyl cyclohexanecarboxylate (3289-28-9) → dicyclohexyl ketone (119-60-8) + α,α-dicyclohexyl-cyclohexanemethanol (17687-74-0)

Guidance literature:

With diethyl ether; magnesium;

Reference yield:

tricyclohexylborane (1088-01-3) + tris(phenylthio)methane (4832-52-4) → α,α-dicyclohexyl-cyclohexanemethanol (17687-74-0)

Guidance literature:

With sodium hydroxide; n-butyllithium; dihydrogen peroxide; mercury dichloride; Yield given. Multistep reaction; 1.) THF/hexane, a.) -78 deg C, b.) 25 deg C; 2.) THF/hexane, 0 deg C;

DOI:10.1016/0022-328X(85)87357-5

upstream raw materials:

diethyl ether

ethyl cyclohexanecarboxylate

cyclohexylmagnesiumchloride

cyclohexyl chloride

Downstream raw materials:

bromo-tricyclohexyl-methane

dicyclohexyl-cyclohexylidene-methane

tricyclohexylmethane

Refernces

• 1、 Pelter, Andrew,Rao, J. Madhusudhana. "LITHIUM TRIS(PHENYLTHIO)METHANE FOR THE HOMOLOGATION OF TRIALKYLBORANES: CONVENIENT SYNTHESES OF KETONES AND t-CARBINOLS". . p. 65 - 70. Retrieved 2007/10/02.