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

Base Information

Chemical Name:(E,E)-1,3,5,7-Octatetraene
CAS No.:3725-31-3
Molecular Formula:C8H10
Molecular Weight:106.165
Hs Code.:
UNII:AAR9LNJ92M
DSSTox Substance ID:DTXSID301046565
Nikkaji Number:J466.622D,J661.739E
Wikipedia:Octatetraene
Mol file:3725-31-3.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:

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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
Boiling Point:148.1°C at 760 mmHg
Flash Point:24.8°C
Density:0.769g/cm³
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 (3E,5E)-octa-1,3,5,7-tetraene, also known as *trans,trans*-1,3,5,7-octatetraene (OT), is a linear polyene with a fully *trans* configuration across its conjugated double bonds. It exhibits a vibronically induced S₁ ← S₀ electronic transition, with rotational spectra revealing centrifugal distortion effects due to high-frequency parallel rotations and low-frequency in-plane bending modes. The molecule's geometry changes upon photoexcitation, as evidenced by shifts in rotational constants (e.g., ΔA = 2532 MHz). Its S₁ state is characterized by significant vibronic coupling involving the promoting mode *v₄₈*, which mediates S₁-S₂ interactions. In contrast, its two-photon excitation spectrum is electronically allowed, dominated by the 2¹A_g ← 1¹A_g transition, with minimal interference from higher-energy states. Vibrational analysis assigns 128 spectral lines to combinations of symmetric and antisymmetric normal modes.

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

There total 11 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: 48.0%

: 79541-79-0
(2E,4E,6E)-2,4,6-octatrienyl acetate

: 3725-31-3
trans,trans-1,3,5,7-Octatetraene

Guidance literature:: With palladium diacetate; triphenylphosphine; In monoethylene glycol diethyl ether; Heating;
DOI:10.1246/bcsj.54.2541

Reference yield:

: 83755-76-4
(4E,6E)-octa-1,4,6-trien-3-ol

: 3725-31-3
trans,trans-1,3,5,7-Octatetraene

Guidance literature:: With toluene-4-sulfonic acid; at 79.85 ℃;

Reference yield:

: 142-83-6,4488-48-6
trans,trans-2,4-Hexadienal

: 3725-31-3
trans,trans-1,3,5,7-Octatetraene

Guidance literature:: Multi-step reaction with 4 steps

1: benzene / 3.5 h / 60 °C

2: LiAlH₄

3: pyridine

4: 48 percent / Pd(OAc)2, Ph₃P / 1,2-diethoxy-ethane / Heating

With pyridine; palladium diacetate; lithium aluminium tetrahydride; triphenylphosphine; In monoethylene glycol diethyl ether; benzene;
DOI:10.1246/bcsj.54.2541