Hexadecyl octanoate

Base Information

• Chemical Name: Hexadecyl octanoate
• CAS No.: 29710-31-4
• Molecular Formula: C24H48 O2
• Molecular Weight: 368.644
• Hs Code.: 2915900090
• European Community (EC) Number: 249-794-2
• UNII: 418Q5V6PLJ
• DSSTox Substance ID: DTXSID30865508
• Nikkaji Number: J286.939J
• Mol file: 29710-31-4.mol

Synonyms:Hexadecyl octanoate;Cetyl caprylate;29710-31-4;Cetyl octanoate;Palmityl octanoate;Octanoic acid, hexadecyl ester;Hexadecyl octanoate #;SCHEMBL33548;CETYL CAPRYLATE [INCI];DTXSID30865508;FT-0638878;2-Ethylhexanoic Acid, Cetyl 2-ethylhexanoate

Chemical Property of Hexadecyl octanoate

Chemical Property:

• Vapor Pressure: 4.52E-07mmHg at 25°C
• Boiling Point: 414.2°Cat760mmHg
• Flash Point: 209.9°C
• PSA: 26.30000
• Density: 0.86g/cm³
• LogP: 8.37140
• XLogP3: 10.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 22
• Exact Mass: 368.365430770
• Heavy Atom Count: 26
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

CETYL CAPRYLATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)CCCCCCC

Technology Process of Hexadecyl octanoate

There total 2 articles about Hexadecyl 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: 99.5%

Octanoic acid (124-07-2) + 1-Hexadecanol (36653-82-4,124-29-8) → Octanoic acid, hexadecyl ester (29710-31-4)

Guidance literature:

With choline chloride; zinc(II) chloride; at 110 ℃; for 6h;

DOI:10.1016/j.tetlet.2007.07.159

Reference yield:

1-Hexadecanol (36653-82-4,124-29-8) + n-octanoic acid chloride (111-64-8) → Octanoic acid, hexadecyl ester (29710-31-4)

Guidance literature:

In dichloromethane;

DOI:10.1023/A:1015288726605

upstream raw materials:

1-Hexadecanol

n-octanoic acid chloride

Octanoic acid