Hexadecyl ferulate

Base Information

• Chemical Name: Hexadecyl ferulate
• CAS No.: 64190-80-3
• Molecular Formula: C26H42 O4
• Molecular Weight: 418.617
• DSSTox Substance ID: DTXSID901195388
• Nikkaji Number: J490.687J
• ChEMBL ID: CHEMBL4060370

Synonyms:Hexadecyl ferulate;64190-80-3;2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, hexadecyl ester;CHEMBL4060370;SCHEMBL21001086;hexadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;CHEBI:190388;DTXSID901195388;158306-36-6;3-Methoxy-4-hydroxy-trans-cinnamic acid hexadecyl ester;Hexadecyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate;hexadecyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate;NCGC00386025-01!hexadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Chemical Property of Hexadecyl ferulate

Chemical Property:

• Vapor Pressure: 8.09E-12mmHg at 25°C
• Boiling Point: 529.3°Cat760mmHg
• Flash Point: 165.3°C
• PSA: 55.76000
• Density: 0.995g/cm³
• LogP: 7.43850
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 19
• Exact Mass: 418.30830982
• Heavy Atom Count: 30
• Complexity: 435

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC
• Isomeric SMILES: CCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC

Technology Process of Hexadecyl ferulate

There total 13 articles about Hexadecyl ferulate 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: 100.0%

3-(hexadecyloxy)-3-oxopropanoic acid (1002-58-0) + vanillin (121-33-5,8014-42-4) → trans-hexadecyl 3-(4-hydroxy-3-methoxyphenyl)propenoate (64190-80-3)

Guidance literature:

With pyridine; 3-amino propanoic acid; at 20 ℃; for 336h;

DOI:10.1016/j.ejmech.2010.12.016

Reference yield: 65.0%

C29H46O6 → trans-hexadecyl 3-(4-hydroxy-3-methoxyphenyl)propenoate (64190-80-3)

Guidance literature:

With piperidine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2017.02.054

Reference yield:

(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid (1135-24-6,537-98-4) + 1-Hexadecanol (36653-82-4,124-29-8) → trans-hexadecyl 3-(4-hydroxy-3-methoxyphenyl)propenoate (64190-80-3)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 120 ℃; for 4h;

DOI:10.1021/jf060899p

upstream raw materials:

1-Hexadecanol

Methyl ferulate

(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid

(E)-3-(4-acetoxy-3-methoxyphenyl)acrylic acid

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