Octadienoic acid

Base Information

• Chemical Name: Octadienoic acid
• CAS No.: 22329-75-5
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• UNII: RV8D1P4247
• DSSTox Substance ID: DTXSID201346940
• Nikkaji Number: J1.016.834A,J45.020K
• Wikidata: Q63399158
• Mol file: 22329-75-5.mol

Synonyms:Octadienoic acid;(2E,4E)-octa-2,4-dienoic acid;22329-75-5;octa-2,4-dienoic acid;83615-26-3;(2E,4E)-2,4-Octadienoic acid;2,4-Octadienoic acid;Octadienoic acid, (2E,4E)-;2,4-Octadienoic acid, (E,E)-;RV8D1P4247;90435-12-4;UNII-RV8D1P4247;SCHEMBL1877127;SCHEMBL3055417;DTXSID201346940;BS-46598;CS-0162370;E75428;EN300-1867200;Q63399158

Chemical Property of Octadienoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 1.98350
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

(2E,4E)-Octa-2,4-dienoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Octadienoic acid

There total 16 articles about Octadienoic 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: 95.0%

ethyl (2E,4E)-octa-2,4-dienoate (60388-61-6) → (2E,4E)-octadienoic acid (22329-75-5)

Guidance literature:

ethyl (2E,4E)-octa-2,4-dienoate; With lithium hydroxide monohydrate; water; In tetrahydrofuran; for 48h; Reflux;

With hydrogenchloride; In tetrahydrofuran; water; pH=2 - 3;

DOI:10.1021/np500158q

Reference yield: 92.0%

→ (2E,4E)-octadienoic acid (22329-75-5)

Guidance literature:

Reference yield: 64.0%

(E)-2-(pent-1-en-1-yl)benzoic acid (18776-92-6,18294-89-8) → (2E,4E)-octadienoic acid (22329-75-5)

Guidance literature:

With silver tetrafluoroborate; copper(II) acetate monohydrate; In 1,4-dioxane; at 50 ℃; for 12h; Sealed tube;

upstream raw materials:

pyridine

(E)-2-Hexenal

malonic acid

trans,trans-2,4-octadienal

Downstream raw materials:

(E,E)-octa-2,4-dien-1-ol

C₆₁H₈₂O₁₈

butyric acid

C₂₀H₂₁NO