6-Methyloctan-1-ol

Base Information

• Chemical Name: 6-Methyloctan-1-ol
• CAS No.: 38514-05-5
• Molecular Formula: C9H20O
• Molecular Weight: 144.257
• Hs Code.: 2905199090
• European Community (EC) Number: 253-977-2
• DSSTox Substance ID: DTXSID10959373
• Nikkaji Number: J294.684J
• Mol file: 38514-05-5.mol

Synonyms:6-Methyloctan-1-ol;38514-05-5;6-Methyl-1-octanol;1-Octanol, 6-methyl-;EINECS 253-977-2;6-methyloctanol;A2181;SCHEMBL50953;DTXSID10959373;MFCD02258715;AKOS006230286;SB44916;SB84051;DS-16513;CS-0203503;C74966

Chemical Property of 6-Methyloctan-1-ol

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Melting Point: 6.15°C (estimate)
• Refractive Index: 1.43
• Boiling Point: 196.6 °C at 760 mmHg
• PKA: 15.20±0.10(Predicted)
• Flash Point: 79.5 °C
• PSA: 20.23000
• Density: 0.824 g/cm³
• LogP: 2.58520
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 144.151415257
• Heavy Atom Count: 10
• Complexity: 61.7

Purity/Quality:

99% ^*data from raw suppliers

6-Methyl-1-octanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCCCCO

Technology Process of 6-Methyloctan-1-ol

There total 7 articles about 6-Methyloctan-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:

methyl ethyl caproic acid (504-99-4) → 6-methyl-1-octanol (38514-05-5)

Guidance literature:

With lithium aluminium tetrahydride; N-ethyl-N,N-diisopropylamine; In diethyl ether; at 0 - 20 ℃;

DOI:10.1016/j.phytochem.2014.10.023

Reference yield:

6-methyl-octa-2,4-diyn-1-ol (30689-74-8) → 6-methyl-1-octanol (38514-05-5)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; for 18h; under 760 Torr;

DOI:10.1021/jo00818a045

Reference yield:

3-methyl-1-pentyne (922-59-8) → 6-methyl-1-octanol (38514-05-5)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. NaOBr, Py / 16 h

2: aq. EtNH₂, CuCl, NH₂OH*HCl / 16 h

3: H₂ / PtO₂ / ethanol / 18 h / 760 Torr

With pyridine; sodium hypobromide; hydroxylamine hydrochloride; hydrogen; ethylamine; copper(l) chloride; platinum(IV) oxide; In ethanol;

DOI:10.1021/jo00818a045

upstream raw materials:

methyl 6-methyloctanoate

6-methyl-octa-2,4-diyn-1-ol

3-methyl-1-pentyne

1-bromo-3-methyl-pent-1-yne

Downstream raw materials:

6-Methyloctylbromid

methyl ethyl caproic acid

6-methyloctanal

14-methyl-hexadec-8c-enoic acid methyl ester