4-Ethylheptane

Base Information

• Chemical Name: 4-Ethylheptane
• CAS No.: 2216-32-2
• Molecular Formula: C9H20
• Molecular Weight: 128.258
• Hs Code.: 2901100000
• European Community (EC) Number: 679-926-8
• DSSTox Substance ID: DTXSID20176690
• Nikkaji Number: J96.503K
• Wikidata: Q955349
• Metabolomics Workbench ID: 5302
• Mol file: 2216-32-2.mol

Synonyms:4-ETHYLHEPTANE;2216-32-2;Heptane, 4-ethyl-;4-ethyl-heptane;4-ethyl heptane;Ethylheptane, 4-;DTXSID20176690;CAA21632;LMFA11000607;MFCD00048743;E0260;FT-0692477;T72101;Q955349

Chemical Property of 4-Ethylheptane

Chemical Property:

• Melting Point: -113.19°C
• Refractive Index: 1.4070-1.4090
• Boiling Point: 141.2 °C at 760 mmHg
• Flash Point: 24 °C
• PSA: 0.00000
• Density: 0.722 g/cm³
• LogP: 3.61280
• Solubility.: soluble in Ether,Benzene,Acetone
• Water Solubility.: 242.2ug/L(temperature not stated)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 128.156500638
• Heavy Atom Count: 9
• Complexity: 42

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Ethylheptane >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CC)CCC

Technology Process of 4-Ethylheptane

There total 7 articles about 4-Ethylheptane 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:

4-allylguaiacol (97-53-0) → methanol (67-56-1) + 4-ethylheptane (2216-32-2) + 2-methoxy-4-n-propylphenol (2785-87-7) + phenylpropane (103-65-1)

Guidance literature:

With hydrogen; In dodecane; at 239.84 ℃; for 2h; under 750.075 Torr;

DOI:10.1016/j.jssc.2019.121063

Reference yield:

phenylpropane (103-65-1) → 4-ethylheptane (2216-32-2)

Guidance literature:

With hydrogen; at 240 ℃; under 8250.83 Torr;

DOI:10.1007/s10562-012-0810-8

Reference yield:

4-ethyl-4-heptanol (597-90-0) → 4-ethylheptane (2216-32-2)

Guidance literature:

With naphthalene-2-sulfonate; Destillieren und Hydrieren der erhaltenen Olefine an Platinoxyd in Eisessig;

upstream raw materials:

4-ethyl-4-heptanol

(4-ethyl-hept-3-en-1-ynyl)-trimethyl-silane

1-(Trimethylsilyl)-1,3-hexadiin

phenylpropane

Refernces

• 1、 Piegsa, Anne,Korth, Wolfgang,Demir, Fehime,Jess, Andreas. "Hydrogenation and ring opening of aromatic and naphthenic hydrocarbons over noble metal (Ir, Pt, Rh)/Al2O3 catalysts". experimental part. p. 531 - 540. Retrieved 2012/09/22.