trans-2-Octene

Base Information

• Chemical Name: trans-2-Octene
• CAS No.: 13389-42-9
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 29012900
• European Community (EC) Number: 203-894-2,236-463-2
• NSC Number: 244460
• UNII: G13G1YR8YW
• DSSTox Substance ID: DTXSID30872994
• Nikkaji Number: J87.928B,J87.929K
• Wikidata: Q24735790
• Mol file: 13389-42-9.mol

Synonyms:trans-2-Octene;2-OCTENE;13389-42-9;(E)-2-Octene;(E)-oct-2-ene;2-Octene, (2E)-;2-Octene, (E)-;trans-Oct-2-ene;OCTENE-2;(2E)-2-Octene;111-67-1;UNII-G13G1YR8YW;G13G1YR8YW;EINECS 203-894-2;EINECS 236-463-2;NSC 66572;2-octeno;MFCD00009532;trans-2-Octene, 97%;NSC-97522;NSC-244460;Z-2-Octene;(2E)-oct-2-ene;2-OCTENE, TRANS-;CHEBI:88820;DTXSID30872994;CHEBI:167529;ILPBINAXDRFYPL-HWKANZROSA-N;NSC 97522;NSC244460;O0132;Q24735790

Chemical Property of trans-2-Octene

Chemical Property:

• Vapor Pressure: 31 mm Hg ( 37.7 °C)
• Melting Point: -89--86°C
• Refractive Index: n20/D 1.413(lit.)
• Boiling Point: 123 °C(lit.)
• Flash Point: 21.1°C
• PSA: 0.00000
• Density: 0.727g/cm³
• LogP: 3.14280
• Storage Temp.: 2-8°C
• Solubility.: Benzene (Slightly), Chloroform (Sparingly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 53.1

Purity/Quality:

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

trans-2-Octene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-65
• Safety Statements: 16-62

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated,Unsaturated
• Canonical SMILES: CCCCCC=CC
• Isomeric SMILES: CCCCC/C=C/C

Technology Process of trans-2-Octene

There total 181 articles about trans-2-Octene 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: 96.0%

oct-1-ene (111-66-0,25068-25-1) → trans-2-Octene (13389-42-9)

Guidance literature:

With C₂₄H₄₂N₂PRu⁽¹⁺⁾*F₆P^(1-); In [⁽²⁾H₆]acetone; at 20 ℃; for 0.5h; stereoselective reaction;

DOI:10.1021/acscatal.8b04345

Reference yield: 90.1%

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) → trans-2-Octene (13389-42-9) + oct-1-ene (111-66-0,25068-25-1)

Guidance literature:

at 375 ℃; for 0.7h; under 760.051 Torr; Reagent/catalyst;

DOI:10.1002/cctc.201601076

Reference yield: 75.0%

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) → trans-2-Octene (13389-42-9)

Guidance literature:

With 1,1,1-trichloro-3,3,3-trifluoro-propan-2-one; toluene-4-sulfonic acid; In benzene; for 7h; Heating;

upstream raw materials:

methyl radical

isopropyl radical

t-Butyl radical

1-bromo-octane

Downstream raw materials:

2-nonene

cis-2-nonene

cis-tridec-6-ene

(E)-tridec-6-ene

Refernces

• 1、 Hilal, Hikmat S.,Khalaf, Shukri,Jondi, Waheed. "Cluster versus non-cluster catalysis in olefin thermal isomerization and hydrosilylation in the presence of Ru(CO)12". . p. 167 - 173. Retrieved 1993.
• 2、 Po-Kwan Lau, Jasmine,Wong, Wing-Tak. "Reactivity of osmium-rhodium mixed-metal cluster [Os3Rh(μ-H)3(CO)12] towards vinyl containing ligands". . p. 151 - 158. Retrieved 2002.
• 3、 Pandya, Chayan,Panicker, Rakesh R.,Senjaliya, Parth,Hareendran, M.K. Hima,Anju,Sarkar, Sibasis,Bhat, Haamid,Jha, Prakash C.,Rao, Koya Prabhakara,Smith, Gregory S.,Sivaramakrishna, Akella. "Designing and synthesis of phosphine derivatives of Ru3(CO)12 – Studies on catalytic isomerization of 1-alkenes". . . Retrieved 2021.
• 4、 Van Ende,D.,Krief,A.. "-". . p. 2709 - 2712. Retrieved 1975.
• 5、 Brouwer, Chad,Rahaman, Ronald,He, Chuan. "Gold(I)-mediated hydrothiolation of conjugated olefins". . p. 1785 - 1789. Retrieved 2007.
• 6、 Yuan, Hongmei,Brennessel, William W.,Jones, William D.. "Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes". . p. 2326 - 2329. Retrieved 2018.
• 7、 Weding, Nico,Spannenberg, Anke,Jackstell, Ralf,Hapke, Marko. "Formation and reactivity of a Co4-μ-alkyne cluster from a Co(I)-alkene complex". . p. 5660 - 5663. Retrieved 2012.
• 8、 Fetzer, Marcus N. A.,Tavakoli, Ghazal,Klein, Axel,Prechtl, Martin H. G.. "Ruthenium-Catalyzed E-Selective Partial Hydrogenation of Alkynes under Transfer-Hydrogenation Conditions using Paraformaldehyde as Hydrogen Source". . p. 1317 - 1325. Retrieved 2021/02/11.