3,7,11-Trimethyldodeca-2,6,10-trienoic acid

Base Information

• Chemical Name: 3,7,11-Trimethyldodeca-2,6,10-trienoic acid
• CAS No.: 7548-13-2
• Molecular Formula: C15H24 O2
• Molecular Weight: 236.354
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID80996937
• Wikidata: Q27117003,Q105306779
• Mol file: 7548-13-2.mol

Synonyms:3,7,11-trimethyl-2,6,10-dodecatrienoic acid;farnesenic acid;farnesoic acid

Chemical Property of 3,7,11-Trimethyldodeca-2,6,10-trienoic acid

Chemical Property:

• Vapor Pressure: 1.31E-06mmHg at 25°C
• Boiling Point: 373.6°C at 760 mmHg
• PKA: 5.15±0.33(Predicted)
• Flash Point: 273.4°C
• PSA: 37.30000
• Density: 0.941g/cm³
• LogP: 4.26620
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CC(=O)O)C)C)C

Technology Process of 3,7,11-Trimethyldodeca-2,6,10-trienoic acid

There total 2 articles about 3,7,11-Trimethyldodeca-2,6,10-trienoic 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: 63.0%

farnesol (4602-84-0) → farnesal (19317-11-4) + Farnesoic acid (7548-13-2)

Guidance literature:

With lauric acid; potassium carbonate; In Petroleum ether; Yields of byproduct given; Ambient temperature; electrolysis ("Swiss-roll" cell): nickel anode, steel cathode, 0.4 A, current consumption 6.5 F/mol;

DOI:10.1055/s-1989-27378

Reference yield:

3,7,11-trimethyl-dodeca-2,6,10-trienenitrile (29789-67-1) → pseudo-ionone (689-67-8) + Farnesoic acid (7548-13-2) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

Reference yield:

formic acid (64-18-6) + Farnesoic acid (7548-13-2) → epi-drimenol (468-68-8,19078-37-6,54750-55-9,84108-05-4,84108-08-7,90457-95-7,90457-96-8)

Guidance literature:

With sulfuric acid; Cyclisierung, anschliessend Behandlung mit LiAlH₄ in Aether;

DOI:10.1002/hlca.19490320746

upstream raw materials:

farnesol

3,7,11-trimethyl-dodeca-2,6,10-trienenitrile

Downstream raw materials:

epi-drimenol

β-cis-bergamotene

β-cis-bergamotene