4-Ethyloctane

Base Information

• Chemical Name: 4-Ethyloctane
• CAS No.: 15869-86-0
• Molecular Formula: C10H22
• Molecular Weight: 142.285
• Hs Code.: 2901100000
• NSC Number: 23698
• DSSTox Substance ID: DTXSID10871243
• Nikkaji Number: J121.226E
• Wikidata: Q5652285
• Mol file: 15869-86-0.mol

Synonyms:4-Ethyloctane;Octane, 4-ethyl-;15869-86-0;NSC 23698;NSC23698;DTXSID10871243;NSC-23698;AKOS006271539;Q5652285

Chemical Property of 4-Ethyloctane

Chemical Property:

• Vapor Pressure: 2.69mmHg at 25°C
• Melting Point: -87.69°C
• Refractive Index: 1.4131
• Boiling Point: 163.6°C at 760 mmHg
• Flash Point: 36.5°C
• PSA: 0.00000
• Density: 0.733g/cm³
• LogP: 4.00290
• Water Solubility.: 75.36ug/L(temperature not stated)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 142.172150702
• Heavy Atom Count: 10
• Complexity: 57.1

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCCC(CC)CCC

Technology Process of 4-Ethyloctane

There total 4 articles about 4-Ethyloctane 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:

butylcyclohexane (1678-93-9) → octane, 4-ethyl- (15869-86-0) + 3-ethyloctane (5881-17-4) + 4-methylnonane (17301-94-9,108266-42-8) + 3-methyl-nonane (5911-04-6)

Guidance literature:

With aluminum oxide; hydrogen; iridium; USY⁽³⁷⁾; platinum; In n-heptane; at 274.85 ℃; under 26552.1 Torr; Further Variations:; Catalysts; Temperatures; Product distribution;

DOI:10.1006/jcat.2002.3685

Reference yield:

cis-decalin (493-01-6) → octane, 4-ethyl- (15869-86-0) + octane, 3,3-dimethyl- (4110-44-5) + octane, 3,5-dimethyl- (15869-93-9) + isodecane (871-83-0) + 2,4-dimethyloctane (4032-94-4) + 2,5-dimethyloctane (15869-89-3) + 4-methylnonane (17301-94-9,108266-42-8) + 3,6-dimethyloctane (15869-94-0) + 2,6-dimethyloctane (2051-30-1) + 3-methyl-nonane (5911-04-6) + Isobutane (75-28-5,40921-86-6) + methyl-cyclopentane (96-37-7)

Guidance literature:

With hydrogen; at 262 ℃; under 39003.9 Torr; Reagent/catalyst; Temperature; Catalytic behavior; Flow reactor;

DOI:10.1016/j.apcata.2013.01.020

Reference yield:

1-hexene (592-41-6,25067-06-5) + ethene (74-85-1) → octane, 4-ethyl- (15869-86-0) + decane (124-18-5) + 5-methylnonane (15869-85-9)

Guidance literature:

1-hexene; ethene; With C₂₉H₃₁Cl₃CrNO₄P₂; In chlorobenzene; at 20 ℃; under 760.051 Torr;

With palladium on activated charcoal; hydrogen; In chlorobenzene; Inert atmosphere;

DOI:10.1021/om300492r

upstream raw materials:

butylcyclohexane

1-hexene

ethene

cis-decalin

Refernces

• 1、 Haas, Andreas,Rabl, Sandra,Ferrari, Marco,Calemma, Vincenzo,Weitkamp, Jens. "Ring opening of decalin via hydrogenolysis on Ir/- and Pt/silica catalysts". experimental part. p. 97 - 109. Retrieved 2012/07/13.
• 2、 McVicker,Daage,Touvelle,Hudson,Klein,Baird Jr.,Cook,Chen,Hantzer,Vaughan,Ellis,Feeley. "Selective ring opening of naphthenic molecules". . p. 137 - 148. Retrieved 2007/10/03.