1-Methylhexyl octanoate

Base Information

• Chemical Name: 1-Methylhexyl octanoate
• CAS No.: 55193-32-3
• Molecular Formula: C15H30 O2
• Molecular Weight: 242.402
• European Community (EC) Number: 259-519-8
• DSSTox Substance ID: DTXSID20970519
• Nikkaji Number: J266.934J
• Mol file: 55193-32-3.mol

Synonyms:1-Methylhexyl octanoate;55193-32-3;2-heptyl octanoate;EINECS 259-519-8;heptan-2-yl octanoate;DTXSID20970519;Octanoic acid 1-methylhexyl ester;UKPOONOGHLYURR-UHFFFAOYSA-N

Chemical Property of 1-Methylhexyl octanoate

Chemical Property:

• Vapor Pressure: 0.00358mmHg at 25°C
• Boiling Point: 281.3°C at 760 mmHg
• Flash Point: 125°C
• PSA: 26.30000
• Density: 0.865g/cm³
• LogP: 4.85890
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC(C)CCCCC

Technology Process of 1-Methylhexyl octanoate

There total 1 articles about 1-Methylhexyl octanoate 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:

2-Heptanol (52390-72-4,543-49-7) + n-octanoic acid chloride (111-64-8) → 2-heptyl octanoate (55193-32-3)

Guidance literature:

With pyridine;

upstream raw materials:

2-Heptanol

n-octanoic acid chloride