2-Ethyl-1-hexene

Base Information

• Chemical Name: 2-Ethyl-1-hexene
• CAS No.: 1632-16-2
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• European Community (EC) Number: 216-636-9
• NSC Number: 19874
• UNII: 9LQ21Q17WH
• DSSTox Substance ID: DTXSID7051769
• Nikkaji Number: J40.601E
• Wikidata: Q27160862
• Mol file: 1632-16-2.mol

Synonyms:2-ETHYL-1-HEXENE;1632-16-2;3-methyleneheptane;Heptane, 3-methylene-;2-Ethylhexene;1-Hexene, 2-ethyl-;3-methylideneheptane;2-Ethylhex-1-ene;2-Ethyl hexene-1;USAF DO-21;EINECS 216-636-9;NSC 19874;BRN 1733407;UNII-9LQ21Q17WH;9LQ21Q17WH;NSC-19874;4-01-00-00884 (Beilstein Handbook Reference);2-Ethylhexene-1;NSC19874;3-methylene-heptane;2-Ethyl-1-hexene, AldrichCPR;DTXSID7051769;CHEBI:88858;WLN: 4Y2&U1;MFCD00027242;AKOS006229181;FS-5463;LS-75557;E0124;FT-0633719;D90439;Q27160862

Chemical Property of 2-Ethyl-1-hexene

Chemical Property:

• Vapor Pressure: 20.6mmHg at 25°C
• Melting Point: -103.01°C (estimate)
• Refractive Index: 1.4130-1.4160
• Boiling Point: 117.7°Cat760mmHg
• Flash Point: 10.4°C
• PSA: 0.00000
• Density: 0.721g/cm³
• LogP: 3.14280
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 62.4

Purity/Quality:

99% ^*data from raw suppliers

2-Ethyl-1-hexene >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 11-51/53-38-10
• Safety Statements: 3/7-9-16-33-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCCCC(=C)CC
• Uses: Organic synthesis of flavors, perfumes, medicines, dyes, resins.

Technology Process of 2-Ethyl-1-hexene

There total 44 articles about 2-Ethyl-1-hexene 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: 95.0%

1-hexene (592-41-6,25067-06-5) + diethylaluminium chloride (96-10-6) → 2-ethyl-1-hexene (1632-16-2) + di(n-hexyl)aluminum chloride (2674-15-9)

Guidance literature:

With zirconium (IV) butoxide; In toluene; at 20 ℃; for 4h; further catalysts;

DOI:10.1007/BF00953581

Reference yield: 95.0%

1-hexene (592-41-6,25067-06-5) + diethylaluminium chloride (96-10-6) → 2-ethyl-1-hexene (1632-16-2) + di(n-hexyl)aluminum chloride (2674-15-9) + ethyl(n-hexyl)aluminium chloride

Guidance literature:

With zirconium (IV) butoxide; In toluene; at 20 ℃; for 4h; Product distribution; Mechanism; further catalysts (Ti(OBu)4, Hf(OBu)4, ZrCl₄, TiCl₄, (C₅H₅N)2ZrCl₂); effect of educt ratio;

DOI:10.1007/BF00953581

Reference yield: 68.0%

1-butylene (106-98-9,9003-28-5) → 2-ethyl-1-hexene (1632-16-2)

Guidance literature:

With zirconocene dichloride; In hexane; at 20 ℃; for 48h;

DOI:10.1039/c2gc35595g

upstream raw materials:

1-butylene

triisobutylaluminum

3-bromomethylheptane

(±)-2-butyl-2-ethyloxirane

Downstream raw materials:

3-ethylheptan-3-ol

1,2-Dihydroxy-2-ethylhexan

3-methylheptane

2-Ethylhexyl alcohol

Refernces

• 1、 Newman,Evans. "-". . p. 4187,4188. Retrieved 1954.
• 2、 Dzhemilev,Ibragimov,Khafizova,Parfenova,Yalalova,Khalilov. "Synthesis and transformation of metallacycles 25.* On a mechanism of the Ni(acac)2-catalyzed converson of 3-alkyl-1-ethylalumacyclopentanes into 1,1-disubstituted cyclopropanes". . p. 1465 - 1468. Retrieved 2001.
• 3、 Dzhemilev, Usein M.,Ibragimov, Askhat G.,Khafizova, Leyla O.,Ramazanov, Ilfir R.,Yalalova, Dina F.,Tolstikov, Genrikh A.. "'One-pot' synthesis of 1,1-disubstituted cyclopropanes in the presence of metal complex catalysts". . p. 76 - 81. Retrieved 2001.
• 4、 Dzhemilev et al.. "". . . Retrieved 1979.
• 5、 -. "Renewable plasticizer alcohols from olefin oligomers and methods for making the same". Page/Page column 5. . Retrieved 2018/04/20.
• 6、 D?bowski, Maciej,?okaj, Krzysztof,Ostrowski, Andrzej,Zachara, Janusz,Wiecińska, Paulina,Falkowski, Pawe?,Krztoń-Maziopa, Anna,Florjańczyk, Zbigniew. "Thermally induced structural transformations of linear coordination polymers based on aluminum tris(diorganophosphates)". supporting information. p. 16480 - 16491. Retrieved 2018/12/05.