Cosmene

Base Information

• Chemical Name: Cosmene
• CAS No.: 460-01-5
• Molecular Formula: C10H14
• Molecular Weight: 134.22
• UNII: BB1XPU95WD
• DSSTox Substance ID: DTXSID301020808
• Nikkaji Number: J2.362.235A,J85.981H
• Wikidata: Q24817453
• Mol file: 460-01-5.mol

Synonyms:Cosmene;Cosmen;(3E,5E)-2,6-Dimethyl-1,3,5,7-octatetraene;460-01-5;BB1XPU95WD;UNII-BB1XPU95WD;2,6-Dimethyl-1,3,5,7-octatetraene, E,E-;(3E,5E)-2,6-dimethylocta-1,3,5,7-tetraene;trans,trans-2,6-Dimethyl-1,3,5,7-octatetraene;1,3,5,7-Octatetraene, 2,6-dimethyl-, (3E,5E)-;2,6-dimethyl-1,3,5,7-octatetraene;(E)-2,6-Dimethyl-1,3,5,7-octatetraene;2,6-dimethylocta-1,3,5,7-tetraene;CHEBI:87600;CHEBI:90063;HPZWSJQQCJZBBG-LQPGMRSMSA-N;DTXSID301020808;(e,e)-2,6-dimethyl-1,3,5,7-octatetraene;2,6-Dimethyl-1,3(E),5(E),7-octatetraene;(3E,5E)-2,6-Dimethyl-1,3,5,7-octatetraene #;Q24817453

Chemical Property of Cosmene

Chemical Property:

• Melting Point: -1 - 0 °C (pentane)
• Boiling Point: 189.5±7.0 °C(Predicted)
• PSA: 0.00000
• Density: 0.786±0.06 g/cm3(Predicted)
• LogP: 3.25100
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 180

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=C)C=CC=C(C)C=C
• Isomeric SMILES: CC(=C)/C=C/C=C(\C)/C=C

Technology Process of Cosmene

There total 4 articles about Cosmene 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:

2,6-dimethyl-octa-1,7-dien-4-yne-3,6-diol (408317-96-4) → cosmene (460-01-5)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1039/jr9540004006

Reference yield:

3-methyl-1-penten-4-yn-3-ol (3230-69-1) → cosmene (460-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethyl magnesium bromide; benzene

2: lithium alanate; diethyl ether

With lithium aluminium tetrahydride; diethyl ether; ethylmagnesium bromide; benzene;

DOI:10.1039/jr9540004006

Reference yield:

3,7-dimethylocta-2,4,6-trienyl 1-acetate → cosmene (460-01-5) + 3,7-dimethylocta-2,4,6-trienyl methyl ether (30462-64-7) + 3,7-dimethylocta-2,4,6-trienyl 1-acetate + 3,7-dimethylocta-2,4,6-trienyl 1-acetate

Guidance literature:

In methanol; Quantum yield; Irradiation;

DOI:10.1021/jo00051a011

upstream raw materials:

2,6-dimethyl-octa-1,7-dien-4-yne-3,6-diol

diethyl ether

3-methyl-1-penten-4-yn-3-ol