Hexa-2,4-dienedial

Base Information

Chemical Name:Hexa-2,4-dienedial
CAS No.:18409-46-6
Molecular Formula:C6H6 O2
Molecular Weight:110.112
Hs Code.:
European Community (EC) Number:221-833-8
DSSTox Substance ID:DTXSID20878889
Nikkaji Number:J555.804B,J555.883B,J557.985F,J262.358G
Wikidata:Q76293944
Metabolomics Workbench ID:3410
Mol file:18409-46-6.mol

Synonyms:muconaldehyde

Suppliers and Price of Hexa-2,4-dienedial

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
Packaging
price

TRC
(2E,4E)-2,4-Hexadienedial
25mg
$ 1670.00

Total 6 raw suppliers

Chemical Property of Hexa-2,4-dienedial

Chemical Property:

Vapor Pressure:0.0577mmHg at 25°C
Boiling Point:232.8°Cat760mmHg
Flash Point:84.8°C
PSA：34.14000
Density:1.006g/cm³
LogP:0.49660
XLogP3:0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:110.036779430
Heavy Atom Count:8
Complexity:107

Purity/Quality:

99% ^*data from raw suppliers

(2E,4E)-2,4-Hexadienedial ^*data from reagent suppliers

Safty Information:

Pictogram(s): A poison.
Hazard Codes:A poison.

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(=CC=O)C=CC=O
Isomeric SMILES:C(=C/C=O)\C=C\C=O
Uses (2E,4E)-2,4-Hexadienedial is a cytotoxic metabolite of benzene in mouse liver by alcohol dehydrogenase ADH1 and aldehyde reductase AKR1A4;Also, it is an intermediate used in the synthesis of (2E,4E,6Z)-2,4,6-Nonatrienal (N649575), which is a natural aroma compound found in variety of foods such as oats and black tea.

Technology Process of Hexa-2,4-dienedial

There total 22 articles about Hexa-2,4-dienedial 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: 100.0%

: hexa-2t,4ξ-dienedial

: 18409-46-6
(E,E)-muconaldehyde

Guidance literature:: With iodine; In dichloromethane;
DOI:10.1039/c39930001220

Reference yield: 68.0%

: 1403231-79-7
(E)-6-hydroxyhex-2-enal

: 18409-46-6
(E,E)-muconaldehyde

Guidance literature:: With (S)-diphenylprolinol; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; acetonitrile; at 20 ℃; for 12h; stereoselective reaction;
DOI:10.1039/c5cc10093c