3-Methyloctadecane

Base Information

• Chemical Name: 3-Methyloctadecane
• CAS No.: 6561-44-0
• Molecular Formula: C₁₉H₄₀
• Molecular Weight: 268.527
• Hs Code.: 2901100000
• DSSTox Substance ID: DTXSID10984185
• Nikkaji Number: J530.366D
• Wikidata: Q27160552
• Mol file: 6561-44-0.mol

Synonyms:3-Methyloctadecane;6561-44-0;Octadecane, 3-methyl-;3-methyl-octadecane;CHEBI:88669;DTXSID10984185;PGZRTPKNSFMAOP-UHFFFAOYSA-N;FT-0705557;Q27160552

Chemical Property of 3-Methyloctadecane

Chemical Property:

• Vapor Pressure: 0.000411mmHg at 25°C
• Melting Point: 0.5°C
• Refractive Index: 1.4400
• Boiling Point: 326.4°C at 760 mmHg
• Flash Point: 119.1°C
• PSA: 0.00000
• Density: 0.783g/cm³
• LogP: 7.51380
• XLogP3: 10.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 15
• Exact Mass: 268.313001276
• Heavy Atom Count: 19
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

3-METHYLOCTADECANE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(C)CC

Technology Process of 3-Methyloctadecane

There total 4 articles about 3-Methyloctadecane 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-pentadecyl-carbinol (25452-37-3) → 3-methyloctadecane (6561-44-0)

Guidance literature:

With potassium sulfate; potassium hydrogensulfate; at 150 ℃; und Hydrieren des erhaltenen 3-Methyl-octadecen-Gemisches in Gegenwart von Platin bei 90-100grad;

Reference yield:

heptadecan-2-one (2922-51-2) → 3-methyloctadecane (6561-44-0)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: KHSO₄; K₂SO₄ / 150 °C / und Hydrieren des erhaltenen 3-Methyl-octadecen-Gemisches in Gegenwart von Platin bei 90-100grad

With potassium sulfate; potassium hydrogensulfate; diethyl ether;

Reference yield:

palmitonitrile (629-79-8) → 3-methyloctadecane (6561-44-0)

Guidance literature:

Multi-step reaction with 3 steps

1: folgende Hydrolyse

2: diethyl ether

3: KHSO₄; K₂SO₄ / 150 °C / und Hydrieren des erhaltenen 3-Methyl-octadecen-Gemisches in Gegenwart von Platin bei 90-100grad

With potassium sulfate; potassium hydrogensulfate; diethyl ether;

upstream raw materials:

methyl-ethyl-pentadecyl-carbinol

pentadecylmagnesium bromide

butanone

heptadecan-2-one