(2E,6E)-2,6-Octadienal

Base Information

• Chemical Name: (2E,6E)-2,6-Octadienal
• CAS No.: 56767-18-1
• Molecular Formula: C8H12 O
• Molecular Weight: 124.183
• European Community (EC) Number: 260-372-7
• UNII: 738653D6CR
• DSSTox Substance ID: DTXSID70886151
• Nikkaji Number: J267.105K,J309.334D
• Wikidata: Q27266155
• Metabolomics Workbench ID: 3527
• Mol file: 56767-18-1.mol

Synonyms:(2E,6E)-2,6-Octadienal;56767-18-1;(2E,6E)-octa-2,6-dienal;2,6-Octadienal, (2E,6E)-;FEMA No. 3466;2,6-trans,trans-Octadienal;2E,6E-Octadienal;(e,e)-2,6-octadienal;2-trans-6-trans-octadienal;2,6-Octadienal, (E,E)-;2,6-Octadienal, trans,trans-;UNII-738653D6CR;EINECS 260-372-7;738653D6CR;2,6-Octadienal;2,6-Octadienal, (E,Z)-;trans,trans-2,6-Octadienal;SCHEMBL245164;(E,E)-2,6-octadien-1-al;FEMA 3466;DTXSID70886151;LMFA06000131;2,6-OCTADIEN-1-AL, (E,E)-;2-TRANS-6-TRANS-OCTADIENAL [FHFI];Q27266155

Chemical Property of (2E,6E)-2,6-Octadienal

Chemical Property:

• Vapor Pressure: 0.538mmHg at 25°C
• Boiling Point: 190.6°Cat760mmHg
• Flash Point: 74.1°C
• PSA: 17.07000
• Density: 0.855g/cm³
• LogP: 2.09780
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCCC=CC=O
• Isomeric SMILES: C/C=C/CC/C=C/C=O

Technology Process of (2E,6E)-2,6-Octadienal

There total 4 articles about (2E,6E)-2,6-Octadienal 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:

C10H19NO → (2E,6E)-Octa-2,6-dienal (56767-18-1,76917-23-2,149231-57-2)

Guidance literature:

With acetic anhydride; In benzene; for 1h; Yield given; Ambient temperature;

DOI:10.1246/cl.1982.1987

Reference yield:

Dimethyl-((2Z,6E)-octa-2,6-dienyl)-amine (85035-38-7) → (2E,6E)-Octa-2,6-dienal (56767-18-1,76917-23-2,149231-57-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 30percent H₂O₂ / methanol / 24 h / Ambient temperature

2: Ac₂O / benzene / 1 h / Ambient temperature

With dihydrogen peroxide; acetic anhydride; In methanol; benzene;

DOI:10.1246/cl.1982.1987

Reference yield:

(2E,6E)-octa-2,6-dien-1-ol (25166-90-9,97259-62-6) → octa-2t,6t-dienal (56767-18-1)

Guidance literature:

With chromium(III) oxide; sulfuric acid; at 6 ℃;

upstream raw materials:

(2E,6E)-octa-2,6-dien-1-ol

trans-4-hexenal

(triphenylphosphoranylidene)acetaldehyde

Dimethyl-((2Z,6E)-octa-2,6-dienyl)-amine

Downstream raw materials:

(2E,6E)-octa-2,6-dien-1-ol

Refernces

• 1、 Takabe, Kunihiko,Yamada, Takashi,Katagiri, Takao. "A SIMPLE CONVERSION OF N,N-DIMETHYL-2-ALKENYLAMINE TO 2-ALKENAL". . p. 1987 - 1988. Retrieved 2007/10/02.