3-Methyl-4-octanol

Base Information

• Chemical Name: 3-Methyl-4-octanol
• CAS No.: 26533-35-7
• Molecular Formula: C₉H₂₀O
• Molecular Weight: 144.257
• Hs Code.: 2905199090
• European Community (EC) Number: 621-187-0
• DSSTox Substance ID: DTXSID90400676
• Nikkaji Number: J2.363.533J
• Mol file: 26533-35-7.mol

Synonyms:3-METHYL-4-OCTANOL;3-methyloctan-4-ol;26533-35-7;4-Octanol, 3-methyl-;SCHEMBL107677;DTXSID90400676;AKOS013030062;FT-0692223

Chemical Property of 3-Methyl-4-octanol

Chemical Property:

• Melting Point: 6.15°C (estimate)
• Refractive Index: 1.4300
• Boiling Point: 183.8 °C at 760 mmHg
• PKA: 15.31±0.20(Predicted)
• Flash Point: 71.1 °C
• PSA: 20.23000
• Density: 0.825 g/cm³
• LogP: 2.58360
• 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: 71.1

Purity/Quality:

99% ^*data from raw suppliers

3-methyloctan-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC(C(C)CC)O

Technology Process of 3-Methyl-4-octanol

There total 3 articles about 3-Methyl-4-octanol 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:

n-butyllithium (109-72-8,29786-93-4) + 2-Methylbutyraldehyde (96-17-3,57456-98-1) → 3-Methyl-4-octanol (26533-35-7)

Guidance literature:

With 15-crown-5; In tetrahydrofuran; Yield given. Yields of byproduct given; -78 deg C, then RT, quenching with water;

DOI:10.1021/ja00308a054

Reference yield:

n-butyl magnesium bromide (693-03-8) + 2-Methylbutyraldehyde (96-17-3,57456-98-1) → 3-Methyl-4-octanol (26533-35-7)

Guidance literature:

DOI:10.1021/ja01208a037

Reference yield:

3-methyloctan-4-one (20754-04-5) → 3-Methyl-4-octanol (26533-35-7)

Guidance literature:

With iron; platinum; Hydrogenation;

upstream raw materials:

n-butyl magnesium bromide

2-Methylbutyraldehyde

3-methyloctan-4-one

n-butyllithium

Downstream raw materials:

3-methyloctan-4-one

Refernces

• 1、 Yamamoto, Yoshinori,Maruyama, Kazuhiro. "Organometallic-Crown Reagents. Anti-Cram Selectivity via R2CuLi-Crown and Enhanced Cram Selectivity via RLi-Crown and RMgX.Crown". . p. 6411 - 6413. Retrieved 2007/10/02.