(E,E)-1,3,5,7-Octatetraene

Base Information

Chemical Name:(E,E)-1,3,5,7-Octatetraene
CAS No.:1482-91-3
Molecular Formula:C8H10
Molecular Weight:106.167
Hs Code.:
UNII:AAR9LNJ92M
DSSTox Substance ID:DTXSID301046565
Nikkaji Number:J466.622D,J661.739E
Wikipedia:Octatetraene
Mol file:1482-91-3.mol

Synonyms:1,3,5,7-octatetraene

Suppliers and Price of (E,E)-1,3,5,7-Octatetraene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of (E,E)-1,3,5,7-Octatetraene

Chemical Property:

Vapor Pressure:5.44mmHg at 25°C
Melting Point:50°C
Refractive Index:1.4770 (estimate)
Boiling Point:148.1°C at 760 mmHg
Flash Point:24.8°C
PSA：0.00000
Density:0.769g/cm³
LogP:2.47080
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:3
Exact Mass:106.078250319
Heavy Atom Count:8
Complexity:100

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CC=CC=CC=C
Isomeric SMILES:C=C/C=C/C=C/C=C
General Description 1,3,5,7-Octatetraene, also known as Octatetraene(6CI), is an unsubstituted linear polyene that exhibits distinct electronic energy levels, including a characteristic gap between the strongly allowed absorption (¹A_g → ¹B_u) and fluorescence origin (¹A_g^* → ¹A_g). The ¹B_u-¹A_g^* energy gap for 1,3,5,7-octatetraene is measured at 6380 cm^-1, reflecting its electronic structure and sensitivity to substitution effects, as observed in comparisons with methyl-substituted polyenes. These findings align with theoretical models of polyene electronic states.

Technology Process of (E,E)-1,3,5,7-Octatetraene

There total 10 articles about (E,E)-1,3,5,7-Octatetraene 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: 10.0%

: 83755-76-4
2,4,7-octatrien-6-ol

: 1482-91-3
octa-1,3,5,7-tetraene

Guidance literature:: catalytic dehydration;
DOI:10.1021/ja00526a003

Reference yield: 5.0%

: 130971-00-5
(2E,4E,6E)-2,4,6-octatrien-1-ol

: 1482-91-3
octa-1,3,5,7-tetraene

Guidance literature:: With aluminum oxide; at 270 ℃; under 50 Torr;
DOI:10.1021/ja00526a003

Reference yield:

: 1,6-bis<(bromomethyl)sulfonyl>-2,5-dibromohexane

: 1482-91-3
octa-1,3,5,7-tetraene

: 1871-52-9
(1Z,3Z,5Z)-Cycloocta-1,3,5-triene

Guidance literature:: With potassium tert-butylate; In tetrahydrofuran; tert-butyl alcohol; at 45 ℃; for 2h; Yield given. Yields of byproduct given;
DOI:10.1021/ja00275a051