2,4,6,8-Decatetraenoic acid

Base Information

• Chemical Name: 2,4,6,8-Decatetraenoic acid
• CAS No.: 17016-39-6
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2916190090
• NSC Number: 88147
• UNII: 33TUH52Q9G
• Nikkaji Number: J2.629.768K
• ChEMBL ID: CHEMBL2006892
• Mol file: 17016-39-6.mol

Synonyms:2,4,6,8-Decatetraenoic acid;17016-39-6;deca-2,4,6,8-tetraenoic acid;(2E,4E,6E,8E)-deca-2,4,6,8-tetraenoic acid;2,4,6,8-Decatetraenoicacid;NSC-88147;33TUH52Q9G;(2E,4E,6E,8E)-2,4,6,8-Decatetraenoic acid;876607-76-0;decatetraenoic acid;NSC88147;starbld0019163;2,6,8-Decatetraenoic acid;UNII-33TUH52Q9G;SCHEMBL7815097;CHEMBL2006892;2,4,6,8-Decatetraen-1-oic acid;J-010604

Chemical Property of 2,4,6,8-Decatetraenoic acid

Chemical Property:

• Vapor Pressure: 3.54E-05mmHg at 25°C
• Melting Point: 225-226
• Boiling Point: 329.2°Cat760mmHg
• Flash Point: 233°C
• PSA: 37.30000
• Density: 1.009g/cm³
• LogP: 2.31570
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

2,4,6,8-DecatetraenoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC=CC=CC=CC(=O)O
• Isomeric SMILES: C/C=C/C=C/C=C/C=C/C(=O)O
• Uses: 2,4,6,8-Decatetraenoic Acid is used in the environmental control of calicheamicin polyketide synthase which is can detect programmed octaketide and allows for enediyne biosynthesis. 2,4,6,8-Decatetraenoic Acid is a key intermediate in the synthesis of unsaturated colored fatty acids.

Technology Process of 2,4,6,8-Decatetraenoic acid

There total 7 articles about 2,4,6,8-Decatetraenoic acid 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: 82.0%

2E,4E,6E,8E-decatetraen-1-ol (6071-43-8) → deca-2,4,6,8-tetraenoic acid (17016-39-6)

Guidance literature:

With Acetobacter aceti MIM₂₀₀₀/28; In phosphate buffer; ethanol; for 44h; pH=6.8;

DOI:10.1016/j.tet.2008.07.011

Reference yield: 60.0%

2,4,6,8-decatetraenal (39806-05-8) → deca-2,4,6,8-tetraenoic acid (17016-39-6)

Guidance literature:

With Acetobacter aceti MIM₂₀₀₀/28; In phosphate buffer; ethanol; for 24h; pH=6.8;

DOI:10.1016/j.tet.2008.07.011

Reference yield:

ethyl (2E,4E,6E,8E)-2,4,6,8-decatetraenoate (6071-63-2) → deca-2,4,6,8-tetraenoic acid (17016-39-6)

Guidance literature:

With potassium hydroxide; In methanol; for 0.5h; Heating;

DOI:10.1016/j.tet.2008.07.011

upstream raw materials:

2,4,6,8-decatetraenal

malonic acid

2,4,6,8-decatetraenal

2E,4E,6E,8E-decatetraen-1-ol

Downstream raw materials:

1-decanoic acid