4-Isopropylcyclohexanol

Base Information

• Chemical Name: 4-Isopropylcyclohexanol
• CAS No.: 4621-04-9
• Molecular Formula: C9H18 O
• Molecular Weight: 142.241
• Hs Code.: 2906199090
• European Community (EC) Number: 225-035-0,817-434-9
• NSC Number: 21123
• UNII: 365047QI0X,Q5HS2TR1NE
• DSSTox Substance ID: DTXSID2047149
• Nikkaji Number: J779.154B,J34.007C
• Wikidata: Q72502274,Q27256517,Q27287024
• Metabolomics Workbench ID: 130668
• ChEMBL ID: CHEMBL3187028
• Mol file: 4621-04-9.mol

Synonyms:4-isopropylcyclohexanol

Chemical Property of 4-Isopropylcyclohexanol

Chemical Property:

• Vapor Pressure: 4.73-6.3Pa at 20-25℃
• Melting Point: 36.9°C (estimate)
• Refractive Index: gt. 1.4660 to 1.4700
• Boiling Point: 203.1°Cat760mmHg
• PKA: 15.30±0.40(Predicted)
• Flash Point: 80.8°C
• PSA: 20.23000
• Density: 0.914g/cm³
• LogP: 2.19350
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 90.9

Purity/Quality:

99.9% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CCC(CC1)O

Technology Process of 4-Isopropylcyclohexanol

There total 14 articles about 4-Isopropylcyclohexanol 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: 99.0%

4-isopropyl-cyclohexanone (5432-85-9) → 4-isopropylcyclohexanol (4621-04-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 2h;

DOI:10.1039/b516641a

Reference yield: 90.0%

4-Isopropylphenol (99-89-8) → 4-isopropylcyclohexanol (4621-04-9)

Guidance literature:

With hydrogen; Rh/Al₂O₃; In ethanol; under 3102.9 Torr;

DOI:10.1021/jo951643d

Reference yield: 86.0%

4-isopropylcyclohexyl mesylate (175020-81-2) → 4-isopropyl-cyclohexene (14072-82-3) + 4-isopropylcyclohexanol (4621-04-9) + 1-Ethoxy-4-isopropyl-cyclohexane (286472-39-7)

Guidance literature:

With ethanol; at 50 ℃; Rate constant; Product distribution; Mechanism; other temperature 50, 55, 65 deg C, other solvent aq. trifluoroethanol;

DOI:10.1021/jo951643d

upstream raw materials:

BPA

4-Isopropylphenol

4-isopropyl-cyclohexanone

4-isopropylcyclohexyl mesylate

Downstream raw materials:

4-isopropyl-cyclohexanone

3-isopropylglutaric acid

trans-4-isopropylcyclohexanol

8-(1-methylethyl)-1-oxaspiro[4,5]-decan-2-one

Refernces

• 1、 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.
• 2、 Hu, Yinghui,Jiang, Guangce,Xu, Guoqiang,Mu, Xindong. "Hydrogenolysis of lignin model compounds into aromatics with bimetallic Ru-Ni supported onto nitrogen-doped activated carbon catalyst". . p. 316 - 326. Retrieved 2018/01/05.