3,7-Dimethyloctan-2-ol

Base Information

• Chemical Name: 3,7-Dimethyloctan-2-ol
• CAS No.: 15340-96-2
• Molecular Formula: C10H22 O
• Molecular Weight: 158.284
• Hs Code.: 2905199090
• European Community (EC) Number: 239-375-2
• DSSTox Substance ID: DTXSID50934745
• Nikkaji Number: J218.403F
• Mol file: 15340-96-2.mol

Synonyms:3,7-Dimethyloctan-2-ol;3,7-dimethyl-2-octanol;15340-96-2;EINECS 239-375-2;UNII-G9NJM87CCK;2-Octanol, 3,7-dimethyl-;G9NJM87CCK;SCHEMBL1658859;DTXSID50934745;AKOS021483963

Chemical Property of 3,7-Dimethyloctan-2-ol

Chemical Property:

• Vapor Pressure: 0.0851mmHg at 25°C
• Melting Point: -1.53°C (estimate)
• Refractive Index: 1.4340
• Boiling Point: 199.5°Cat760mmHg
• PKA: 15.11±0.20(Predicted)
• Flash Point: 79.9°C
• PSA: 20.23000
• Density: 0.823g/cm³
• LogP: 2.82960
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 88.9

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-Dimethyloctan-2-ol

There total 4 articles about 3,7-Dimethyloctan-2-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:

allo-ocimenol (22451-63-4) → 3,7-dimethyl-octan-2-ol (15340-96-2)

Guidance literature:

With hydrogen; nickel; In diethyl ether; at 25 ℃; under 228000 Torr;

Reference yield:

2,6-dimethyl-2,4,6-octatriene (135500-75-3,6874-48-2) → 3,7-dimethyl-octan-2-ol (15340-96-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) O₂, rose bengal, benzene-1,4-diol, MeOH, (ii) Ph₃P, Et₂O

2: H₂ / Raney-Ni / diethyl ether / 25 °C / 228000 Torr

With hydrogen; nickel; In diethyl ether;

Reference yield:

acetic acid-(1,2,6-trimethyl-heptyl ester) (15340-97-3) → 3,7-dimethyl-octan-2-ol (15340-96-2)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

acetic acid-(1,2,6-trimethyl-heptyl ester)

allo-ocimenol

2,6-dimethyl-octane-2,7-diol

2,6-dimethyl-2,4,6-octatriene