Isopropylcyclohexane

Base Information

• Chemical Name: Isopropylcyclohexane
• CAS No.: 696-29-7
• Molecular Formula: C9H18
• Molecular Weight: 126.242
• Hs Code.: 2902199090
• European Community (EC) Number: 211-792-4
• NSC Number: 73963
• UN Number: 3295
• UNII: 5S52JAD8P7
• DSSTox Substance ID: DTXSID2061012
• Nikkaji Number: J43.397G
• Wikidata: Q63408583
• Metabolomics Workbench ID: 5324
• Mol file: 696-29-7.mol

Synonyms:(1-methylethyl)cyclohexane;isopropylcyclohexane

Chemical Property of Isopropylcyclohexane

Chemical Property:

• Appearance/Colour: colorless clear liquid
• Vapor Pressure: 4.59mmHg at 25°C
• Refractive Index: n20/D 1.441(lit.)
• Boiling Point: 151.9 °C at 760 mmHg
• Flash Point: 35.6 °C
• PSA: 0.00000
• Density: 0.796 g/cm³
• LogP: 3.22270
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 126.140850574
• Heavy Atom Count: 9
• Complexity: 68.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:
• Statements: R10:Flammable.
• Safety Statements: S16:Keep away from sources of ignition - No smoking.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC(C)C1CCCCC1

Technology Process of Isopropylcyclohexane

There total 53 articles about Isopropylcyclohexane 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: 99.9%

3-isopropylhydroxybenzene (618-45-1) → (1-methylethyl)-cyclohexane (696-29-7)

Guidance literature:

With hydrogen; In dodecane; at 200 ℃; for 2h; under 15001.5 Torr;

DOI:10.1021/acscatal.6b01785

Reference yield: 98.2%

4-Isopropylphenol (99-89-8) → (1-methylethyl)-cyclohexane (696-29-7)

Guidance literature:

With hydrogen; In dodecane; at 200 ℃; for 2h; under 15001.5 Torr;

DOI:10.1021/acscatal.6b01785

Reference yield: 90.0%

1-methoxy-4-(1-methylethyl)benzene (4132-48-3) → Isopropylbenzene (98-82-8) + (1-methylethyl)-cyclohexane (696-29-7)

Guidance literature:

With hydrogen; In water; at 270 ℃; for 3h; under 16501.7 Torr;

DOI:10.1039/c5gc00326a

upstream raw materials:

Isopropylbenzene

1-isopropyl-cyclohexanol

(α-bromo-isopropyl)-cyclohexane

5-(1-methylethyl)cyclohexa-1,3-diene

Downstream raw materials:

1,3-dimethyladamantane

1,3,5,7-tetramethyladamantane

trans-Decalin

1-ethyladamantane

Refernces

• 1、 Dyson, Paul J.,Ellis, David J.,Parker, David G.,Welton, Thomas. "Arene hydrogenation in a room-temperature ionic liquid using a ruthenium cluster catalyst". . p. 25 - 26. Retrieved 1999.
• 2、 Hua, Manli,Song, Jinliang,Xie, Chao,Wu, Haoran,Hu, Yue,Huang, Xin,Han, Buxing. "Ru/hydroxyapatite as a dual-functional catalyst for efficient transfer hydrogenolytic cleavage of aromatic ether bonds without additional bases". . p. 5073 - 5079. Retrieved 2019/09/30.
• 3、 Joannou, Matthew V.,Bezdek, Máté J.,Chirik, Paul J.. "Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways". . p. 5276 - 5285. Retrieved 2018/05/15.