2,4,6-Octatrienoic acid

Base Information

• Chemical Name: 2,4,6-Octatrienoic acid
• CAS No.: 5205-32-3
• Molecular Formula: C8H10 O2
• Molecular Weight: 138.166
• Hs Code.: 2916190090
• European Community (EC) Number: 622-483-2
• UNII: 702XZO95X4
• DSSTox Substance ID: DTXSID20242869
• Nikkaji Number: J1.100.542J,J2.629.767B
• ChEMBL ID: CHEMBL1208330
• Mol file: 5205-32-3.mol

Synonyms:2,4,6-octatrienoic acid;LGD1550;octa-2,4,6-trienoic acid

Chemical Property of 2,4,6-Octatrienoic acid

Chemical Property:

• Vapor Pressure: 0.000832mmHg at 25°C
• Boiling Point: 283.3°Cat760mmHg
• Flash Point: 189.5°C
• PSA: 37.30000
• Density: 1.015g/cm³
• LogP: 1.75950
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-OCTATRIENOIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC=CC=CC=CC(=O)O
• Isomeric SMILES: C/C=C/C=C/C=C/C(=O)O

Technology Process of 2,4,6-Octatrienoic acid

There total 10 articles about 2,4,6-Octatrienoic 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:

nona-2,4,6-trienedioic acid (5963-21-3) → octa-2,4,6-trienoic acid (5205-32-3)

Guidance literature:

With piperidine; In pyridine; Heating;

Reference yield:

1,5-bis-(N-methyl-anilino)-pentamethinium ; bromide (25920-13-2) → octa-2,4,6-trienoic acid (5205-32-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / methanol

2: piperidine / pyridine

With piperidine; sodium hydroxide; In pyridine; methanol;

Reference yield:

malonic acid (141-82-2) + 5-(N-methyl-anilino)-penta-2,4-dienal (14189-83-4) → octa-2,4,6-trienoic acid (5205-32-3)

Guidance literature:

With piperidine; In pyridine;

upstream raw materials:

trans,trans-2,4-Hexadienal

malonic acid

2,4,6-octatrienal

5-(N-methyl-anilino)-penta-2,4-dienal

Downstream raw materials:

(S)-3-((2E,4E,6E)-Octa-2,4,6-trienoylamino)-3-phenyl-propionic acid tert-butyl ester

Octanoic acid