2,6-Dimethylheptan-1-ol

Base Information

• Chemical Name: 2,6-Dimethylheptan-1-ol
• CAS No.: 2768-12-9
• Molecular Formula: C9H20 O
• Molecular Weight: 144.25
• NSC Number: 46308
• DSSTox Substance ID: DTXSID60286520,DTXSID80863019
• Wikidata: Q27156637
• Mol file: 2768-12-9.mol

Synonyms:2,6-Dimethylheptan-1-ol;2,6-dimethyl-1-heptanol;2768-12-9;1-Heptanol, 2,6-dimethyl-;NSC46308;2(RS),6-dimethylheptanol;SCHEMBL114059;CERAPP_30413;CHEBI:83104;DTXSID60286520;DTXSID80863019;CAA76812;NSC-46308;AKOS013993197;AS-58366;EN300-6506267;Q27156637

Chemical Property of 2,6-Dimethylheptan-1-ol

Chemical Property:

• Vapor Pressure: 0.158mmHg at 25°C
• Boiling Point: 189.1°C at 760 mmHg
• PKA: 15.04±0.10(Predicted)
• Flash Point: 76.3°C
• PSA: 20.23000
• Density: 0.822g/cm³
• LogP: 2.44110
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 144.151415257
• Heavy Atom Count: 10
• Complexity: 69.1

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)CO

Technology Process of 2,6-Dimethylheptan-1-ol

There total 8 articles about 2,6-Dimethylheptan-1-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:

2,6-dimethyl-5-hepten-1-al (106-72-9) → 2,6-dimethylheptan-1-ol (2768-12-9) + 2,6-dimethyl-5-hepten-1-ol (4234-93-9)

Guidance literature:

With hydrogen; In water; at 29.84 ℃; for 6h; under 6000.6 Torr; chemoselective reaction; Autoclave; Sealed tube;

DOI:10.1039/c3cc41526k

Reference yield:

2,6-dimethylheptanal (3327-66-0) → 2,6-dimethylheptan-1-ol (2768-12-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1248/cpb.54.271

Reference yield:

ammonium 2,6-dimethylheptyl sulfate (84606-47-3) → 2,6-dimethylheptan-1-ol (2768-12-9)

Guidance literature:

With water; In 1,4-dioxane; at 100 ℃; for 4h; Yield given;

DOI:10.1007/BF00575073

upstream raw materials:

ammonium 2,6-dimethylheptyl sulfate

2,6-dimethylheptanal

2,6-dimethyl-5-hepten-1-al

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