2-Ethylcyclohexanol

Base Information

• Chemical Name: 2-Ethylcyclohexanol
• CAS No.: 3760-20-1
• Molecular Formula: C₈H₁₆O
• Molecular Weight: 128.214
• Hs Code.: 2906199090
• European Community (EC) Number: 223-174-1
• NSC Number: 62035
• DSSTox Substance ID: DTXSID20958650
• Nikkaji Number: J174.546H
• Mol file: 3760-20-1.mol

Synonyms:2-ETHYLCYCLOHEXANOL;3760-20-1;2-ethylcyclohexan-1-ol;2-ethyl-cyclohexanol;2-Ethylcyclohexanol,c&t;EINECS 223-174-1;NSC62035;Cyclohexanol, 2-ethyl-;2-Ethylcyclohexanol(c,t);SCHEMBL43179;DTXSID20958650;MFCD00001445;NSC 62035;NSC-62035;AKOS000119845;AKOS017278392;BS-22902;AM20070485;CS-0204697;E0365;EN300-19953;D90497;Z104476198

Chemical Property of 2-Ethylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.361mmHg at 25°C
• Melting Point: 19.68°C (estimate)
• Refractive Index: n20/D 1.464(lit.)
• Boiling Point: 175°Cat760mmHg
• PKA: 15.33±0.40(Predicted)
• Flash Point: 68.3°C
• PSA: 20.23000
• Density: 0.909g/cm³
• LogP: 1.94750
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

99% ^*data from raw suppliers

2-Eethylcyclohexanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 23-24/25-39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1CCCCC1O
• Uses: 2-Ethylcyclohexanol was used in the preparation of cyclohexanone.

Technology Process of 2-Ethylcyclohexanol

There total 15 articles about 2-Ethylcyclohexanol 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%

2-Ethyl-1-hexen oxide (223480-81-7) → 2-ethylcyclohexanol (3274-96-2,4276-43-1,69854-63-3,84275-94-5,89886-25-9,89886-26-0,95529-72-9,116697-35-9,3760-20-1)

Guidance literature:

With morpholine-borane; boron trifluoride diethyl etherate; In diethyl ether; for 2h; Product distribution; Ambient temperature;

DOI:10.1021/jo00191a036

Reference yield: 29.0%

2-ethylcyclohexanol (3274-96-2,4276-43-1,69854-63-3,84275-94-5,89886-25-9,89886-26-0,95529-72-9,116697-35-9,3760-20-1) → cis-2-ethylcyclohexanol (3760-20-1,4276-43-1,69854-63-3,84275-94-5,89886-25-9,89886-26-0,95529-72-9,116697-35-9,3274-96-2)

Guidance literature:

DOI:10.1139/v82-423

Reference yield:

2-ethyl-6-methoxyphenol (90534-46-6) → o-Hydroxyethylbenzene (90-00-6) + ethylbenzene (100-41-4,27536-89-6) + 2-ethylcyclohexanol (3274-96-2,4276-43-1,69854-63-3,84275-94-5,89886-25-9,89886-26-0,95529-72-9,116697-35-9,3760-20-1)

Guidance literature:

With hydrogen; In water; at 230 ℃; for 4h; under 7500.75 Torr; Autoclave;

DOI:10.1016/j.mcat.2017.12.009

upstream raw materials:

2-Ethyl-1-hexen oxide

o-Hydroxyethylbenzene

2-ethyl-2-cyclohexen-1-one

ethyl-cyclohexane

Downstream raw materials:

2-ethylcyclohexanone

ethyl-cyclohexane

trans-2-ethyl-1-cylohexanol

cis-2-ethylcyclohexanol

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". supporting information. p. 5073 - 5079. Retrieved 2019/09/30.
• 2、 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.