trans-2-Hexene

Base Information

• Chemical Name: trans-2-Hexene
• CAS No.: 4050-45-7
• Deprecated CAS: 26266-02-4,32968-65-3
• Molecular Formula: C6H12
• Molecular Weight: 84.1613
• Hs Code.: 29012990
• European Community (EC) Number: 209-755-2,223-752-3,246-768-2
• NSC Number: 74123
• UNII: 2TZ30GGG1A
• DSSTox Substance ID: DTXSID90881224
• Nikkaji Number: J43.520A,J209.319G
• Wikidata: Q27255598
• Metabolomics Workbench ID: 4736
• Mol file: 4050-45-7.mol

Synonyms:trans-2-Hexene;4050-45-7;(E)-2-Hexene;2-Hexene, (E)-;2-hexene, (2E)-;(E)-hex-2-ene;Hexene, isomer;Hexene, isomers;592-43-8;trans-Hex-2-ene;2E-Hexene;HSDB 5143;(2E)-2-Hexene;EINECS 246-768-2;UNII-2TZ30GGG1A;UNII-RBV8CN16R2;2TZ30GGG1A;EINECS 209-755-2;EINECS 223-752-3;NSC 74123;NSC-74123;UNII-092313365W;AI3-28402;MFCD00009473;2-Hexene (cis+trans);25264-93-1;2-hexeno;hex-2-ene;(2E)-hex-2-ene;2-Hexene, cis + trans;trans-2-Hexene, 97%;(2E)-2-Hexene #;2-HEXENE, TRANS-;RBV8CN16R2;2-Hexene, (cis and trans);DTXSID90881224;CHEBI:137755;NSC74123;LMFA11000035;AKOS015840064;2-Hexene, cis + trans, tech. 85%;(E)-2-C6H12;LS-75545;H0380;2-Hexene (cis+trans), technical grade, 85%;Q27255598;092313365W;9016-80-2

Chemical Property of trans-2-Hexene

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 263 mm Hg ( 37.7 °C)
• Melting Point: −98.5-−98 °C(lit.)
• Refractive Index: n20/D 1.396(lit.)
• Boiling Point: 68-70 °C(lit.)
• Flash Point: °C
• PSA: 0.00000
• Density: 0.694g/cm³
• LogP: 2.36260
• Storage Temp.: Flammables area
• Solubility.: Difficult to mix.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 84.093900383
• Heavy Atom Count: 6
• Complexity: 35.3

Purity/Quality:

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

(2E)-2-Hexene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi,Xn
• Hazard Codes: F,Xi,Xn
• Statements: 11-36/37/38-65
• Safety Statements: 16-26-36-62-33-29-23-9

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated,Unsaturated,Plastics & Rubber -> Polymers
• Canonical SMILES: CCCC=CC
• Isomeric SMILES: CCC/C=C/C
• Uses: trans-2-Hexene is used as a co monomer in the production of polyethylene. The use of trans-2-hexene, which is derived from 3-hexyne using sodium in liquid ammonia.

Technology Process of trans-2-Hexene

There total 161 articles about trans-2-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: 68.0%

1-hexene (592-41-6,25067-06-5) + Triethoxysilane (998-30-1) → tetraethoxy orthosilicate (78-10-4) + hexaethoxydisiloxane (2157-42-8) + trans-2-hexene (4050-45-7) + hexyltriethoxysilane (18166-37-5) + β-hexyltriethoxysilane (18166-36-4)

Guidance literature:

With tris(triphenylphosphine)ruthenium(II) chloride; for 5h; Product distribution; Mechanism; Heating; other catalysts; the atmosphere of air or argon;

DOI:10.1016/S0022-328X(00)99230-1

Reference yield:

ethene (74-85-1) → 2-ethyl-1-butene (760-21-4) + 3-Methyl-cis-2-penten (922-62-3) + (E)-3-methyl-2-pentene (616-12-6) + cis-2-hexene (7688-21-3) + trans-2-hexene (4050-45-7) + 3-methyl-1-pentene (760-20-3,13643-02-2)

Guidance literature:

With C₁₈H₃₂Br₃NNiO₂P₂S; In toluene; at 34 ℃; for 1h; under 3750.38 Torr; Reagent/catalyst; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejic.201402430

Reference yield:

ethene (74-85-1) → 2-ethyl-1-butene (760-21-4) + 3-Methyl-cis-2-penten (922-62-3) + (E)-3-methyl-2-pentene (616-12-6) + cis-3-hexene (7642-09-3) + trans-3-Hexene (13269-52-8) + cis-2-hexene (7688-21-3) + trans-2-hexene (4050-45-7) + 3-methyl-1-pentene (760-20-3,13643-02-2)

Guidance literature:

With C₃₄H₃₃Br₂NNiO₂P₂S; In toluene; at 30 ℃; for 1h; under 3750.38 Torr; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejic.201402430

upstream raw materials:

1-hexene

2-chloro-3-butene

ethylmagnesium bromide

(±)-3-hexyl acetate

Downstream raw materials:

cis-2-hexene

trans-N-tosyl-2-methyl-3-n-propylaziridine

1-((E)-1-Methyl-pent-2-enyl)-4-phenyl-[1,2,4]triazolidine-3,5-dione

[2-(1-Iodo-ethyl)-pentane-1-sulfonyl]-benzene

Refernces

• 1、 Krogman, Jeremy P.,Foxman, Bruce M.,Thomas, Christine M.. "Formation and Subsequent Reactivity of a N2-Stabilized Cobalt-Hydride Complex". . p. 3159 - 3166. Retrieved 2015.
• 2、 Maslennikov,Aivaz'yan,Kurskii,Spirina. "Isomerization of 1-hexene into 2-hexene, catalyzed by the product of magnesium oxidation with molybdenum pentachloride in tetrahydrofuran [1]". . p. 1319 - 1319. Retrieved 2003.
• 3、 Laskar,Skrabalak. "A balancing act: Manipulating reactivity of shape-controlled metal nanocatalysts through bimetallic architecture". . p. 6911 - 6918. Retrieved 2016.
• 4、 Liprandi, Domingo A.,Cagnola, Edgardo A.,Paredes, Jose F.,Badano, Juan M.,Quiroga, Monica E.. "A high (Z)/(E) ratio obtained during the 3-hexyne hydrogenation with a catalyst based on a Rh(I) complex anchored on a carbonaceous support". . p. 231 - 237. Retrieved 2012.
• 5、 Belmont, James A.,Soto, Jorge,King, Roswell E.,Donaldson, Andrew J.,Hewes, John D.,Hawthorne, M. Frederick. "Metallacarboranes in Catalysis. 8. I: Catalytic Hydrogenolysis of Alkenyl Acetates. II: Catalytic Alkene Isomerization and Hydrogenation Revisited". . p. 7475 - 7486. Retrieved 1989.
• 6、 Rao, Yuxiang,Kang, Junjie,Antonelli, David. "1-Hexene isomerization over sulfated mesoporous Ta oxide: The effects of active site and confinement". . p. 394 - 395. Retrieved 2008.
• 7、 Ulrich,Lane. "-". . p. 5130. Retrieved 1950.
• 8、 Skupinski,Malinowski. "". . p. 183,185. Retrieved 1976.
• 9、 Keil, Philip M.,Hadlington, Terrance J.. "Geometrically Constrained Cationic Low-Coordinate Tetrylenes: Highly Lewis Acidic σ-Donor Ligands in Catalytic Systems". supporting information. . Retrieved 2022/01/13.
• 10、 Bauer, Matthias,Cronin, Steve P.,Dyballa, Michael,Estes, Deven P.,Li, Zheng,Maier, Sarah,Nowakowski, Michal,Vu Dinh, Manh-Anh. "Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations". supporting information. p. 1751 - 1757. Retrieved 2021/06/28.