4-Ethylcyclohexanol

Base Information

• Chemical Name: 4-Ethylcyclohexanol
• CAS No.: 4534-74-1
• Molecular Formula: C8H16O
• Molecular Weight: 128.214
• Hs Code.: 2906199090
• European Community (EC) Number: 224-878-1,623-192-3,691-725-7
• NSC Number: 21118
• UNII: 4WX4RJ6FFB,A8GG7C6AP2
• DSSTox Substance ID: DTXSID30196485,DTXSID101312435,DTXSID301314013
• Nikkaji Number: J1.260.660E,J1.260.661C,J174.548D
• Wikidata: Q105246306,Q105246307
• Mol file: 4534-74-1.mol

Synonyms:4-Ethylcyclohexanol;trans-4-Ethylcyclohexanol;4534-74-1;19781-62-5;CIS-4-ETHYLCYCLOHEXANOL;19781-61-4;4-ethylcyclohexan-1-ol;Cyclohexanol, 4-ethyl-;Cyclohexanol, 4-ethyl-, cis-;Cyclohexanol, 4-ethyl-, trans-;4-Ethylcyclohexanol,c&t;4WX4RJ6FFB;4-cis-4-Ethylcyclohexanol;4-Ethylcyclohexanol, cis-;trans-4-Ethyl cyclohexanol;4-Ethylcyclohexanol, trans-;A8GG7C6AP2;(1r,4r)-4-ethylcyclohexanol;AI3-37925;EINECS 224-878-1;UNII-4WX4RJ6FFB;(cis)-4-ethylcyclohexanol;UNII-A8GG7C6AP2;UNII-D2R95X8PXB;D2R95X8PXB;SCHEMBL42588;SCHEMBL42589;Cyclohexanol,4-ethyl-,trans-;(1s,4s)-4-ethylcyclohexanol;4-Ethylcyclohexanol AldrichCPR;SCHEMBL2208297;SCHEMBL5585495;4-Ethylcyclohexanol, AldrichCPR;SCHEMBL10343976;(1alpha)-4beta-Ethylcyclohexanol;DTXSID30196485;4-Ethylcyclohexanol, cis + trans;DTXSID101312435;DTXSID301314013;NSC21118;MFCD00001450;MFCD00070694;NSC 21118;NSC-21118;AKOS000249634;AKOS006271543;AKOS025294833;SB66828;SB84078;AS-48172;BS-16844;LS-57160;(1R,4S)-4-ETHYLCYCLOHEXAN-1-OL;(1S,4R)-4-ETHYLCYCLOHEXAN-1-OL;CS-0152471;CS-0180939;E0366;E0768;FT-0618410;FT-0694707;FT-0706931;D71246;EN300-268371;F19617;A826784;W-111721

Chemical Property of 4-Ethylcyclohexanol

Chemical Property:

• Appearance/Colour: clear slightly yellow liquid
• Melting Point: 19.68°C (estimate)
• Refractive Index: n20/D 1.462(lit.)
• Boiling Point: 185.7 °C at 760 mmHg
• PKA: 15.32±0.40(Predicted)
• Flash Point: 77 °C
• PSA: 20.23000
• Density: 0.909 g/cm³
• LogP: 1.94750
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 72.6

Purity/Quality:

99% ^*data from raw suppliers

trans-4-Ethylcyclohexanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1CCC(CC1)O

Technology Process of 4-Ethylcyclohexanol

There total 21 articles about 4-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: 99.2%

4-Vinylphenol (2628-17-3,24979-70-2) → 4-ethylcyclohexanol (4534-74-1)

Guidance literature:

With hydrogen; In water; at 70 ℃; for 8h; under 7500.75 Torr; Autoclave;

DOI:10.1039/c6ta01317a

Reference yield: 98.1%

3-methoxy-4-hydroxystyrene (7786-61-0,31853-85-7) → 4-ethylcyclohexanol (4534-74-1)

Guidance literature:

With hydrogen; In water; at 120 ℃; for 10h; under 7500.75 Torr; Autoclave;

DOI:10.1039/c6ta01317a

Reference yield: 89.0%

4-ethylcyclohexanone (5441-51-0) → 4-ethylcyclohexanol (4534-74-1)

Guidance literature:

4-ethylcyclohexanone; With [Ru^VI(N)(N,N’-bis(salicylidene)-o-cyclohexyldiamine dianion)(CH₃OH)][ClO₄]; phenylsilane; In toluene; for 20h; Reflux;

Acidic aq. solution;

DOI:10.1016/j.tetlet.2011.01.139

upstream raw materials:

bisphenol E

4-Ethylphenol

4-ethylcyclohexanone

i-Amyl alcohol

Downstream raw materials:

4-Ethylphenol

C₂₁H₃₄O₂

7-(4-ethylcyclohexyloxy)-4-methyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one

4-ethylcyclohexyl 2-phenylacetate

Refernces

• 1、 Dick, Graham R.,Komarova, Anastasia O.,Luterbacher, Jeremy S.. "Controlling lignin solubility and hydrogenolysis selectivity by acetal-mediated functionalization". supporting information. p. 1285 - 1293. Retrieved 2022/02/17.
• 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.