3,3,5,5-Tetramethylcyclohexanol

Base Information

• Chemical Name: 3,3,5,5-Tetramethylcyclohexanol
• CAS No.: 2650-40-0
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• Hs Code.: 2906199090
• European Community (EC) Number: 220-170-1
• UNII: ZXH7XC24A9
• DSSTox Substance ID: DTXSID20181087
• Nikkaji Number: J192.173H
• Wikidata: Q83051718
• Mol file: 2650-40-0.mol

Synonyms:3,3,5,5-Tetramethylcyclohexanol;2650-40-0;3,3,5,5-tetramethylcyclohexan-1-ol;Cyclohexanol, 3,3,5,5-tetramethyl-;ZXH7XC24A9;EINECS 220-170-1;3,3,5,5-Tetramethyl cyclohexanol-1;3,3,5,5-TETRAMETHYL-1-CYCLOHEXANOL;UNII-ZXH7XC24A9;SCHEMBL887697;PIQXIIHPQBQVTP-UHFFFAOYSA-;DTXSID20181087;3,3,5,5-tetramethyl-cyclohexanol;AKOS006282591;3,3,5,5-tetramethylcyclohexyl alcohol;CS-0378117

Chemical Property of 3,3,5,5-Tetramethylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.116mmHg at 25°C
• Boiling Point: 194.4°Cat760mmHg
• PKA: 15.36±0.60(Predicted)
• Flash Point: 76.5°C
• PSA: 20.23000
• Density: 0.866g/cm³
• LogP: 2.58360
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CC(CC(C1)(C)C)O)C

Technology Process of 3,3,5,5-Tetramethylcyclohexanol

There total 2 articles about 3,3,5,5-Tetramethylcyclohexanol 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: 90.0%

3,3,5,5-tetramethylcyclohexanone (14376-79-5) → 3,3,5,5-tetramethyl cyclohexanol (2650-40-0)

Guidance literature:

With hydrogen; Nic; In ethanol; at 25 ℃; under 760 Torr;

DOI:10.1021/jo01298a037

Reference yield:

→ 3,3,5,5-tetramethyl cyclohexanol (2650-40-0)

Guidance literature:

3,3,5,5-Tetramethylcyclohexanon, LiAlH4 (Red.);

Reference yield: 100.0%

3-(tert-butyloxycarbonylamino)propionic acid (3303-84-2) + 3,3,5,5-tetramethyl cyclohexanol (2650-40-0) → C18H33NO4

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 - 20 ℃;

upstream raw materials:

3,3,5,5-tetramethylcyclohexanone

Downstream raw materials:

3,3,5,5-Tetramethylcyclohexene

3,3,5,5-tetramethylcyclohexanone

3,3,5,5-tetramethylcyclohexyl chloride

3,3,5,5-tetramethylcyclohexyl bromide

Refernces

• 1、 Becker, Beate,Bogdanovic, Borislav. " - the Wet Chemical Route to a Highly Reactive Titanium Hydride". . p. 476 - 482. Retrieved 2007/10/02.
• 2、 Boyer, B.,Lamaty, G.. "Reactions d'addition nucleophile sur les cetones dependance conformationelle de l'effect isotopique". . p. 217 - 219. Retrieved 2007/10/02.