3,4-Dimethylcyclohexanol

Base Information

• Chemical Name: 3,4-Dimethylcyclohexanol
• CAS No.: 5715-23-1
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2906120090
• European Community (EC) Number: 227-211-2
• NSC Number: 62034
• DSSTox Substance ID: DTXSID70871143
• Nikkaji Number: J150.763J
• Wikidata: Q27160852
• Mol file: 5715-23-1.mol

Synonyms:3,4-Dimethylcyclohexanol;5715-23-1;3,4-Dimethylcyclohexan-1-ol;Cyclohexanol, 3,4-dimethyl-;EINECS 227-211-2;NSC62034;HEXAHYDRO-O-4-XYLENOL;SCHEMBL2163356;CHEBI:88852;DTXSID70871143;BCP30897;MFCD00001506;NSC 62034;NSC-62034;AKOS006228765;SB84211;BS-23017;CS-0206609;D0703;FT-0614378;4,4-DICHLORO-3,3-DINITROBENZOPHENONE;EN300-83956;F20428;A869746;Q27160852;Z1201617040

Chemical Property of 3,4-Dimethylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.16mmHg at 25°C
• Melting Point: 19.68°C (estimate)
• Refractive Index: 1.4630-1.4660
• Boiling Point: 189°Cat760mmHg
• PKA: 15.33±0.60(Predicted)
• Flash Point: 78.3°C
• PSA: 20.23000
• Density: 0.893g/cm³
• LogP: 1.80340
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 90.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,4-Dimethylcyclohexanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CC1CCC(CC1C)O

Technology Process of 3,4-Dimethylcyclohexanol

There total 34 articles about 3,4-Dimethylcyclohexanol 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: 88.0%

3,4-Dimethylphenol (95-65-8) → 3,4-dimethylcyclohexanol (5715-23-1)

Guidance literature:

With hydrogen; In tert-butyl alcohol; at 150 ℃; for 48h; Autoclave;

DOI:10.1021/acscatal.9b02193

Reference yield: 84.0%

cis-1,2-dimethyl-cyclohexane → cis-1,2-dimethyl-1-hydroxycyclohexane + 3,4-dimethylcyclohexanol (5715-23-1)

Guidance literature:

With [PPh₄]₂[Mn^V(N)(CN)₄]; tetrabutylammonium periodite; acetic acid; In 2,2,2-trifluoroethanol; at 23 ℃; Inert atmosphere;

DOI:10.1002/asia.201601027

Reference yield: 74.0%

cis-1,2-dimethylcyclohexane (2207-01-4) → 3,4-dimethylcyclohexanol (5715-23-1) + 2,3-dimethylcyclohexan-1-ol (1502-24-5) + cis-1,2-dimethylcyclohexanol (19879-12-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; (5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(III) chloride; In dichloromethane; acetonitrile; for 1h; Product distribution; Ambient temperature; other catalysts;

DOI:10.1246/bcsj.72.707

upstream raw materials:

3,4-Dimethylphenol

Essigsaeure-<4,5-dimethyl-cyclohex-2-enylester>

cis-1,2-dimethylcyclohexane

1,2-trans-dimethylcyclohexane

Downstream raw materials:

phenylcarbamic acid-(3,4-dimethyl-cyclohexyl ester)

3,4-Dimethylphenol

C₂₁H₃₄O₂

4,5-dimethyl-2-oxo-cyclohexanecarboxylic acid ethyl ester

Refernces

• 1、 Cui, Xinjiang,Yuan, Hangkong,Junge, Kathrin,Topf, Christoph,Beller, Matthias,Shi, Feng. "A stable and practical nickel catalyst for the hydrogenolysis of C-O bonds". . p. 305 - 310. Retrieved 2017/01/24.
• 2、 Ma, Li,Chen, Lingjing,Lau, Tai-Chu. "Oxidation of Alkanes by Periodate Using a MnV Nitrido Complex as Catalyst". . p. 2846 - 2848. Retrieved 2016/10/25.