4-Methylcyclohexanol

Base Information

• Chemical Name: 4-Methylcyclohexanol
• CAS No.: 589-91-3
• Molecular Formula: C7H14O
• Molecular Weight: 114.188
• Hs Code.: 29061200
• European Community (EC) Number: 209-664-8,231-789-1,231-790-7
• ICSC Number: 0296
• NSC Number: 3714
• UN Number: 2617
• UNII: 1UK9W4X7H9,JUW70559WV,ZLJ21O6WVR
• DSSTox Substance ID: DTXSID0060434,DTXSID301032962,DTXSID701032964
• Nikkaji Number: J1.212B,J43.552J,J43.556B
• Wikidata: Q2233075
• Mol file: 589-91-3.mol

Synonyms:4-methylcyclohexanol;4-methylcyclohexanol, (cis)-isomer;4-methylcyclohexanol, (trans)-isomer

Chemical Property of 4-Methylcyclohexanol

Chemical Property:

• Appearance/Colour: clear colourless to yellowish viscous liquid
• Vapor Pressure: 1.5 mm Hg ( 30 °C)
• Melting Point: -41 °C
• Refractive Index: n20/D 1.458(lit.)
• Boiling Point: 170.3 °C at 760 mmHg
• PKA: 15.32±0.40(Predicted)
• Flash Point: 70 °C
• PSA: 20.23000
• Density: 0.925 g/cm³
• LogP: 1.55740
• Water Solubility.: slightly soluble
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 62.8

Purity/Quality:

4-Methylcyclohexanol (cis- and trans- mixture) >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 20
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CC1CCC(CC1)O
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is mildly irritating to the eyes and skin. The vapour at high levels is irritating to the eyes and upper respiratory tract.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis.
• Uses: 4-Methylcyclohexanol, mixture of cis and trans was used to study the effects of 4-Methylcyclohexanol on oviposition.

Technology Process of 4-Methylcyclohexanol

There total 62 articles about 4-Methylcyclohexanol 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: 100.0%

p-cresol (106-44-5) → p-methylcyclohexanol (589-91-3)

Guidance literature:

With hydrogen; In water; at 20 ℃; for 6h; under 7500.75 Torr; Autoclave;

DOI:10.1039/c6ta01317a

Reference yield: 99.5%

1-methylcyclohexan-4-one (589-92-4) → p-methylcyclohexanol (589-91-3)

Guidance literature:

With isopropyl alcohol; zirconium(IV) oxide; for 2h; Rate constant; Heating;

DOI:10.1246/bcsj.61.3283

Reference yield: 24.0%

methyl cyclohexane (82166-21-0) → p-methylcyclohexanol (589-91-3) + 2-Methylcyclohexanol (583-59-5) + 1-Methylcyclohexanol (590-67-0) + m-methylcyclohexanol (591-23-1)

Guidance literature:

With iodosylbenzene; 5,10,15,20-tetraphenyl-21 H,23-H-porphine manganese(III)chloride; In benzene; for 2h; Further byproducts given. Title compound not separated from byproducts; Ambient temperature; pAr = 1 atm;

DOI:10.1016/S0040-4020(01)98805-2

upstream raw materials:

p-cresol

oxalic acid bis-(4-methyl-cyclohexyl ester)

1-methylcyclohexan-4-one

methanol

Downstream raw materials:

1-methylcyclohex-1-ene

4-methylcyclohexene

3-methyladipic acid

1-iodo-4-methylcyclohexane

Refernces

• 1、 Chen, Yuxin,He, Runxia,Liu, Quansheng,Yao, Xuefeng,Zhou, Huacong. "A novel and efficient N-doping carbon supported cobalt catalyst derived from the fermentation broth solid waste for the hydrogenation of ketones via Meerwein–Ponndorf–Verley reaction". . . Retrieved 2021/12/10.
• 2、 -. "CATALYTIC PROCESS". Paragraph 0224; 0244; 0248. . Retrieved 2021/12/03.