5,9-Dimethyl-4,9-decadienal

Base Information

• Chemical Name: 5,9-Dimethyl-4,9-decadienal
• CAS No.: 68844-98-4
• Molecular Formula: C12H20O
• Molecular Weight: 180.2866
• European Community (EC) Number: 272-446-6
• UNII: EV7TRA2S48
• Nikkaji Number: J24.160A
• Mol file: 68844-98-4.mol

Synonyms:4,9-Decadienal,5,9-dimethyl;5,9-Dimethyl-4,9-decadienal;EINECS 272-446-6;

Chemical Property of 5,9-Dimethyl-4,9-decadienal

Chemical Property:

• Vapor Pressure: 0.00908mmHg at 25°C
• Boiling Point: 265.6°Cat760mmHg
• Flash Point: 115.5°C
• PSA: 17.07000
• Density: 0.849g/cm³
• LogP: 3.65820
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 180.151415257
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5,9-Dimethyl-4,9-decadienal

There total 3 articles about 5,9-Dimethyl-4,9-decadienal 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:

2,6-dimethyloct-7-ene-2,6-diol (29210-77-3,57784-11-9) + ethyl vinyl ether (109-92-2,25104-37-4) → (E/Z)-5,9-dimethyldeca-4,8-dienal (762-26-5) + (E/Z)-5,9-dimethyldeca-4,9-dienal (68844-98-4)

Guidance literature:

2,6-dimethyloct-7-ene-2,6-diol; ethyl vinyl ether; With phosphoric acid; In toluene; at 180 ℃; for 0.5h; Autoclave; Inert atmosphere;

With water; sodium sulfite; for 1h;

With sulfuric acid; In acetone; Overall yield = 3.16 %; Overall yield = 5.66 g;

Reference yield:

3,7-dimethyloct-6-en-1-yn-3-ol (29171-20-8) → (E/Z)-5,9-dimethyldeca-4,8-dienal (762-26-5) + (E/Z)-5,9-dimethyldeca-4,9-dienal (68844-98-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid; water / 48 h / 25 °C / Large scale

2.1: hydrogen; palladium on carbon poisoned with lead / toluene / 7.5 h / 34 - 40 °C / 75.01 - 150.01 Torr / Inert atmosphere; Large scale

3.1: phosphoric acid / toluene / 0.5 h / 180 °C / Autoclave; Inert atmosphere

3.2: 1 h

With phosphoric acid; sulfuric acid; palladium on carbon poisoned with lead; water; hydrogen; In toluene;

Reference yield:

2,6-dimethyloct-7-yne-2,6-diol (29210-76-2) → (E/Z)-5,9-dimethyldeca-4,8-dienal (762-26-5) + (E/Z)-5,9-dimethyldeca-4,9-dienal (68844-98-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogen; palladium on carbon poisoned with lead / toluene / 7.5 h / 34 - 40 °C / 75.01 - 150.01 Torr / Inert atmosphere; Large scale

2.1: phosphoric acid / toluene / 0.5 h / 180 °C / Autoclave; Inert atmosphere

2.2: 1 h

With phosphoric acid; palladium on carbon poisoned with lead; hydrogen; In toluene;

upstream raw materials:

2,6-dimethyloct-7-ene-2,6-diol

ethyl vinyl ether

3,7-dimethyloct-6-en-1-yn-3-ol

2,6-dimethyloct-7-yne-2,6-diol