Hexadecyl 16-methylheptadecanoate

Base Information

• Chemical Name: Hexadecyl 16-methylheptadecanoate
• CAS No.: 93919-02-9
• Molecular Formula: C₃₄H₆₈O₂
• Molecular Weight: 508.913
• European Community (EC) Number: 299-984-4,273-858-9
• DSSTox Substance ID: DTXSID30917137
• Nikkaji Number: J24.707C
• Wikidata: Q82888573
• Mol file: 93919-02-9.mol

Synonyms:Hexadecyl 16-methylheptadecanoate;Hexadecyl isooctadecanoate;69086-01-7;93919-02-9;EINECS 273-858-9;EINECS 299-984-4;cetylisostearate;SCHEMBL5359570;DTXSID30917137;16-Methylheptadecanoic acid hexadecyl ester;Heptadecanoic acid, 16-methyl-, hexadecyl ester

Chemical Property of Hexadecyl 16-methylheptadecanoate

Chemical Property:

• Vapor Pressure: 5.18E-11mmHg at 25°C
• Boiling Point: 522.4°Cat760mmHg
• Flash Point: 275.9°C
• PSA: 26.30000
• Density: 0.857g/cm³
• LogP: 12.12830
• XLogP3: 16
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 31
• Exact Mass: 508.52193141
• Heavy Atom Count: 36
• Complexity: 417

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C

Technology Process of Hexadecyl 16-methylheptadecanoate

There total 1 articles about Hexadecyl 16-methylheptadecanoate 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:

1-Hexadecanol (36653-82-4,124-29-8) + 16-methylheptadecanoic acid (2724-58-5) → hexadecyl isostearate (93919-02-9)

Guidance literature:

ZrOCl₂ hydrate; In 1,3,5-trimethyl-benzene; at 165 ℃; for 24h; Product distribution / selectivity;

upstream raw materials:

1-Hexadecanol

16-methylheptadecanoic acid

Refernces