2-Ethyloctan-1-ol

Base Information

• Chemical Name: 2-Ethyloctan-1-ol
• CAS No.: 20592-10-3
• Molecular Formula: C10H22O
• Molecular Weight: 158.284
• Hs Code.: 2905199090
• European Community (EC) Number: 243-898-1
• DSSTox Substance ID: DTXSID10942780
• Nikkaji Number: J280.625H
• Mol file: 20592-10-3.mol

Synonyms:2-Ethyloctan-1-ol;20592-10-3;EINECS 243-898-1;2-ethyl-1-octanol;1-Octanol, 2-ethyl-;(-)-2-ethyl-1-octanol;SCHEMBL503146;DTXSID10942780;AKOS015401177;E76345;EN300-7354157

Chemical Property of 2-Ethyloctan-1-ol

Chemical Property:

• Vapor Pressure: 0.0365mmHg at 25°C
• Melting Point: -1.53°C (estimate)
• Refractive Index: 1.4360
• Boiling Point: 213.4°Cat760mmHg
• PKA: 15.09±0.10(Predicted)
• Flash Point: 87.1°C
• PSA: 20.23000
• Density: 0.826g/cm³
• LogP: 2.97530
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 71.3

Purity/Quality:

99% ^*data from raw suppliers

2-Ethyloctan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CC)CO
• Uses: (±)-2-Ethyl-1-octanol is used in the synthesis of biogasoline from ethanol over hydroxyapatite catalyst.

Technology Process of 2-Ethyloctan-1-ol

There total 15 articles about 2-Ethyloctan-1-ol 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: 16.0%

oct-1-ene (111-66-0,25068-25-1) + triethylaluminum (97-93-8) → 2-ethyloctane-1-ol (20592-10-3)

Guidance literature:

(pR)(pS)-Zr(C₂₁H₃₀Si)2Cl₂; In dichloromethane; at 20 ℃; for 19h;

DOI:10.1002/ejic.200400882

Reference yield:

triethylaluminum (97-93-8) + 1,2-Epoxyoctane (2984-50-1) → 2-ethyloctane-1-ol (20592-10-3) + 4-decanol (2051-31-2)

Guidance literature:

With water; In hexane; dichloromethane; at -23 ℃; for 1h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(97)00635-7

Reference yield:

oct-1-ene (111-66-0,25068-25-1) + triethylaluminum (97-93-8) → 2-ethyloctane-1-ol (20592-10-3) + C18H38O + C26H54O

Guidance literature:

oct-1-ene; triethylaluminum; With rac-[(C₂H₄)(η⁵-C₉H₁₀)₂]ZrCl₂; In dichloromethane; at 20 ℃; for 72h; Inert atmosphere;

With oxygen; In dichloromethane; at 0 ℃; for 26h;

DOI:10.1016/j.catcom.2018.10.032

upstream raw materials:

oct-1-ene

diethylmagnesium

triethylaluminum

1,2-Epoxyoctane

Downstream raw materials:

4-{5-Ethyl-4-[3-(2-ethyl-octylamino)-benzoyl]-1-methyl-1H-pyrrol-2-yl}-butyric acid ethyl ester