3-Ethyloctane

Base Information

• Chemical Name: 3-Ethyloctane
• CAS No.: 5881-17-4
• Molecular Formula: C10H22
• Molecular Weight: 142.285
• European Community (EC) Number: 622-323-1
• DSSTox Substance ID: DTXSID5064049
• Nikkaji Number: J121.237K
• Wikidata: Q5651955
• Mol file: 5881-17-4.mol

Synonyms:3-Ethyloctane;5881-17-4;Octane, 3-ethyl-;3-ETHYL OCTANE;3-ethyl-octane;DTXSID5064049;AKOS006274076;FT-0692158;Q5651955

Chemical Property of 3-Ethyloctane

Chemical Property:

• Vapor Pressure: 2.33mmHg at 25°C
• Melting Point: -87.69°C
• Refractive Index: 1.4136
• Boiling Point: 166.6°C at 760 mmHg
• Flash Point: 38.2°C
• PSA: 0.00000
• Density: 0.733g/cm³
• LogP: 4.00290
• Water Solubility.: 65.19ug/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: 53.1

Purity/Quality:

99% ^*data from raw suppliers

3-Ethyloctane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CC)CC
• Uses: 3-Ethyloctane, is a volatile organic compound detected in local seaweeds.

Technology Process of 3-Ethyloctane

There total 8 articles about 3-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:

furfural (98-01-1) + propionic acid (802294-64-0,79-09-4) → 2-methylfuran (534-22-5) + (2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + 3-ethyloctane (5881-17-4) + n-heptane (142-82-5) + propionaldehyde (123-38-6) + pentan-3-one (96-22-0)

Guidance literature:

With hydrogen; In water; at 350 ℃; under 72402.6 Torr; pH=5.2; Flow reactor;

DOI:10.1016/j.catcom.2018.11.015

Reference yield:

furfural (98-01-1) + propionic acid (802294-64-0,79-09-4) → furan (110-00-9) + 2-methylfuran (534-22-5) + (2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + 3-ethyloctane (5881-17-4) + n-heptane (142-82-5) + propionaldehyde (123-38-6) + pentan-3-one (96-22-0)

Guidance literature:

With hydrogen; In water; at 350 ℃; under 72402.6 Torr; pH=5.2; Reagent/catalyst; pH-value; Flow reactor;

DOI:10.1016/j.catcom.2018.11.015

Reference yield:

decane (124-18-5) → 3-ethyloctane (5881-17-4) + isodecane (871-83-0) + 3-methyl-nonane (5911-04-6) + methylbutane (78-78-4)

Guidance literature:

With hydrogen; under 760.051 Torr; Reagent/catalyst; Flow reactor;

DOI:10.1016/j.apcata.2014.08.006

upstream raw materials:

butylcyclohexane

decane

furfural

propionic acid

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