2-Methyl-1,8-octanediol

Base Information

• Chemical Name: 2-Methyl-1,8-octanediol
• CAS No.: 109359-36-6
• Molecular Formula: C₉H₂₀O₂
• Molecular Weight: 160.257
• Hs Code.: 2905399090
• DSSTox Substance ID: DTXSID60451190
• Nikkaji Number: J504.789G
• Mol file: 109359-36-6.mol

Synonyms:2-METHYL-1,8-OCTANEDIOL;2-methyloctane-1,8-diol;109359-36-6;1,8-Octanediol,2-methyl-;1,8-Octanediol, 2-methyl-;SCHEMBL152197;DTXSID60451190;OCTANE-1,8-DIOL, 2-METHYL-

Chemical Property of 2-Methyl-1,8-octanediol

Chemical Property:

• PSA: 40.46000
• LogP: 1.55760
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 160.146329876
• Heavy Atom Count: 11
• Complexity: 74

Purity/Quality:

99.0%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCCCCO)CO

Technology Process of 2-Methyl-1,8-octanediol

There total 4 articles about 2-Methyl-1,8-octanediol 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: 77.0%

ethyl 8-hydroxy-2-methyloctanoate (273384-46-6) → 2-methyl-1,8-octanediol (109359-36-6)

Guidance literature:

With diisobutylaluminium hydride; In ethanol; toluene; at -70 - -20 ℃; for 1h;

DOI:10.1021/jo991894c

Reference yield:

hexahydro-2H-oxepin-2-one (502-44-3,24980-41-4,80137-66-2) → 2-methyl-1,8-octanediol (109359-36-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 87 percent / diisobutylaluminium hydride / CH₂Cl₂ / 1 h / -78 °C

2: 72 percent / sodium hydride / tetrahydrofuran / 1 h / 20 °C

3: 84 percent / H₂ / Pd/C / ethyl acetate / 4 h / 20 °C / 760.05 Torr

4: 77 percent / diisobuylaluminium hydride / ethanol; toluene / 1 h / -70 - -20 °C

With hydrogen; sodium hydride; diisobutylaluminium hydride; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; ethyl acetate; toluene; 1: Reduction / 2: Condensation / 3: Hydrogenation / 4: Reduction;

DOI:10.1021/jo991894c

Reference yield:

6-hydroxyhexanal (34067-76-0) → 2-methyl-1,8-octanediol (109359-36-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 72 percent / sodium hydride / tetrahydrofuran / 1 h / 20 °C

2: 84 percent / H₂ / Pd/C / ethyl acetate / 4 h / 20 °C / 760.05 Torr

3: 77 percent / diisobuylaluminium hydride / ethanol; toluene / 1 h / -70 - -20 °C

With hydrogen; sodium hydride; diisobutylaluminium hydride; palladium on activated charcoal; In tetrahydrofuran; ethanol; ethyl acetate; toluene; 1: Condensation / 2: Hydrogenation / 3: Reduction;

DOI:10.1021/jo991894c

upstream raw materials:

ethyl 8-hydroxy-2-methyloctanoate

hexahydro-2H-oxepin-2-one

6-hydroxyhexanal

ethyl 8-hydroxy-2-methyl-2-octenoate