6-Methyl-1-heptene

Base Information

• Chemical Name: 6-Methyl-1-heptene
• CAS No.: 5026-76-6
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2901299090
• European Community (EC) Number: 234-294-9
• UN Number: 1216
• DSSTox Substance ID: DTXSID30891923
• Nikkaji Number: J99.892C
• Wikidata: Q81981916
• Mol file: 5026-76-6.mol

Synonyms:6-METHYL-1-HEPTENE;6-methylhept-1-ene;Isooctene;1-Heptene, 6-methyl-;5026-76-6;11071-47-9;AI3-37712;EINECS 234-294-9;UN1216;EC 234-294-9;Isooctenes;iso-octene;DTXSID30891923;NA1216;AKOS006275654;Isooctenes [UN1216] [Flammable liquid];FT-0600318;EN300-7208907

Chemical Property of 6-Methyl-1-heptene

Chemical Property:

• Melting Point: -103.01°C (estimate)
• Refractive Index: 1.4045
• Boiling Point: 112.4 °C at 760 mmHg
• Flash Point: 15.5 °C
• PSA: 0.00000
• Density: 0.719 g/cm³
• LogP: 2.99870
• 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
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

6-Methyl-1-heptene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CC(C)CCCC=C

Technology Process of 6-Methyl-1-heptene

There total 8 articles about 6-Methyl-1-heptene 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: 18.0%

6-iodohept-1-ene (13389-36-1) → 6-methylhept-1-ene (5026-76-6) + trans-1,2-dimethylcyclopentane (822-50-4) + 1-ethyl-2-methylcyclopentane (930-90-5) + 1-ethyl-2-methylcyclopentane (930-89-2)

Guidance literature:

In tetrahydrofuran; at 8 ℃; for 72h; Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(00)85811-6

Reference yield:

1,1-dimethyl-5-hexenyl chloride (34986-80-6) → 6-methylhept-1-ene (5026-76-6) + 6-methyl-1,5-heptadiene (7270-50-0) + 1,1,2-trimethylcyclopentane (4259-00-1) + 1,1-dimethylcyclohexane (590-66-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 80 ℃; for 8h; Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(01)97982-7

Reference yield:

6-bromo-5,5-dimethyl-1-hexene (15424-05-2) → 6-methylhept-1-ene (5026-76-6) + 1,1,2-trimethylcyclopentane (4259-00-1) + 1,1-dimethylcyclohexane (590-66-9)

Guidance literature:

With di-tert-butyl peroxide; tributylgermanium hydride; In various solvent(s); at -103.1 ℃; Rate constant; Irradiation; var. temp.;

DOI:10.1021/jo00392a003

upstream raw materials:

6-bromo-5,5-dimethyl-1-hexene

6-iodohept-1-ene

1,1-dimethyl-5-hexenyl chloride

6-bromo-1-heptene

Downstream raw materials:

5-methyl-hexanal-(2,4-dinitro-phenylhydrazone)

methyl isononanoate

(Z)- and (E)-8-methyl-2-nonen-1-ol

(2S-cis)-7,8-epoxy-2-methyloctadecane

Refernces

• 1、 Chatgilialoglu, C.,Dickhaut, J.,Giese, B.. "Rate Constants and Arrhenius Parameters for the Reactions of Some Carbon-Centered Radicals with Tris(trimethylsilyl)silane". . p. 6399 - 6403. Retrieved 2007/10/02.
• 2、 Ashby, E. C.,DePriest, R. N.,Tuncay, A.,Srivastava, Sushil. "EVIDENCE FOR A SINGLE ELECTRON TRANSFER MECHANISM IN REACTIONS OF LITHIUM DIORGANOCUPRATES WITH ORGANIC HALIDES". . p. 5251 - 5254. Retrieved 2007/10/02.