3,7-Dimethyloct-1-yn-3-ol

Base Information

• Chemical Name: 3,7-Dimethyloct-1-yn-3-ol
• CAS No.: 1604-26-8
• Molecular Formula: C10H18 O
• Molecular Weight: 154.252
• Hs Code.: 2905290000
• European Community (EC) Number: 605-207-5
• DSSTox Substance ID: DTXSID401311886
• Mol file: 1604-26-8.mol

Synonyms:3,7-dimethyloct-1-yn-3-ol;1604-26-8;3,7-dimethyl-oct-1-yn-3-ol;3,7-dimethyl-1-octyn-3-ol;3,7-dimethyl-1-octin-3-ol;SCHEMBL2045378;VZPBTNPWFOMXPI-UHFFFAOYSA-N;DTXSID401311886;EN300-111816

Chemical Property of 3,7-Dimethyloct-1-yn-3-ol

Chemical Property:

• Vapor Pressure: 0.211mmHg at 25°C
• Refractive Index: 1.456
• Boiling Point: 184.312°C at 760 mmHg
• Flash Point: 65.887°C
• PSA: 20.23000
• Density: 0.88g/cm³
• LogP: 2.19690
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 152

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(C)(C#C)O

Technology Process of 3,7-Dimethyloct-1-yn-3-ol

There total 9 articles about 3,7-Dimethyloct-1-yn-3-ol 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: 96.0%

6-methylheptan-2-one (928-68-7) + acetylene (74-86-2,25067-58-7) → hydrodehydrolinalool (1604-26-8)

Guidance literature:

With ammonia; potassium hydroxide; In water; at 15 ℃; for 3.3h; under 9000.9 Torr; Autoclave; Inert atmosphere;

Reference yield:

6-Methyl-hept-5-en-2-on (110-93-0,129085-68-3) + acetylene (74-86-2,25067-58-7) → hydrodehydrolinalool (1604-26-8)

Guidance literature:

With ammonia; potassium hydroxide; at 30 ℃; for 2h; Autoclave;

Reference yield:

2,5-dimethylhexanal (1860-43-1) + acetylene (74-86-2,25067-58-7) → hydrodehydrolinalool (1604-26-8)

Guidance literature:

With diethyl ether; sodium tert-pentoxide;

DOI:10.1021/ja01198a070

upstream raw materials:

sodium acetylide

6-methylheptan-2-one

acetylene

2,5-dimethylhexanal

Downstream raw materials:

tetrahydrolinalool

3,7-dimethyl-oct-1-en-3-ol

3,7-dimethylocta-1,6-dien-3-ol

3,7-dimethyl-2-octenal