Hexadecyl acrylate

Base Information

• Chemical Name: Hexadecyl acrylate
• CAS No.: 13402-02-3
• Deprecated CAS: 199685-43-3,1020213-44-8,917592-28-0
• Molecular Formula: C19H36O2
• Molecular Weight: 296.494
• Hs Code.: 29161290
• European Community (EC) Number: 236-492-0
• NSC Number: 72788
• DSSTox Substance ID: DTXSID0065434
• Nikkaji Number: J107.543H
• Wikidata: Q81992211
• Mol file: 13402-02-3.mol

Synonyms:Hexadecyl acrylate;13402-02-3;hexadecyl prop-2-enoate;Cetyl acrylate;2-Propenoic acid, hexadecyl ester;Palmityl acrylate;Acrylic Acid Hexadecyl Ester;Acrylic acid, hexadecyl ester;EINECS 236-492-0;NSC 72788;Hexadecyl Acrylate (stabilized with MEHQ);AI3-15694;EC 236-492-0;Pamityl acrylate;hexadecylacrylat;Hexadecanylacrylate;n-hexadecyl acrylate;SCHEMBL93478;DTXSID0065434;NSC72788;MFCD00078441;NSC-72788;BS-49059;Hexadecyl Acrylate, (stabilized with MEHQ);FT-0713340;H1168;D91012;3-Methylamino-4-nitro-benzoic acid methyl ester

Chemical Property of Hexadecyl acrylate

Chemical Property:

• Vapor Pressure: 1.1E-05mmHg at 25°C
• Melting Point: 24 °C
• Refractive Index: 1.45
• Boiling Point: 370.532 °C at 760 mmHg
• Flash Point: 139.643 °C
• PSA: 26.30000
• Density: 0.87 g/cm³
• LogP: 6.19690
• Water Solubility.: 1.194μg/L at 25℃
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 296.271530387
• Heavy Atom Count: 21
• Complexity: 236

Purity/Quality:

98% ^*data from raw suppliers

HexadecylAcrylate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Hexadecyl acrylate

There total 10 articles about Hexadecyl acrylate 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: 75.0%

1-Hexadecanol (36653-82-4,124-29-8) + acryloyl chloride (814-68-6,25189-84-8) → hexadecyl acrylate (13402-02-3,25986-78-1)

Guidance literature:

In benzene; at 80 ℃; for 2h;

DOI:10.1248/cpb.45.747

Reference yield: 56.0%

Acrylic acid 16-iodo-hexadecyl ester (109182-99-2) → hexadecyl acrylate (13402-02-3,25986-78-1) + oxacycloeicosan-2-one (58296-53-0)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tertbutyltin hydride; In benzene; for 3h; Heating;

DOI:10.1021/ja00250a036

Reference yield: 41.0%

1-Hexadecanol (36653-82-4,124-29-8) + acrylic acid (79-10-7) → hexadecyl acrylate (13402-02-3,25986-78-1) + 3-(hexadecyloxy)-3-oxopropyl acrylate

Guidance literature:

With sodium hydrogen sulfate; at 110 ℃; for 2h;

DOI:10.1007/s11743-015-1691-9

upstream raw materials:

1-Hexadecanol

acrylic acid methyl ester

Acrylic acid 16-iodo-hexadecyl ester

acrylic acid

Refernces

• 1、 Miller, Jason B.,Zhang, Shuyuan,Kos, Petra,Xiong, Hu,Zhou, Kejin,Perelman, Sofya S.,Zhu, Hao,Siegwart, Daniel J.. "Non-Viral CRISPR/Cas Gene Editing In Vitro and In Vivo Enabled by Synthetic Nanoparticle Co-Delivery of Cas9 mRNA and sgRNA". . p. 1059 - 1063. Retrieved 2017.
• 2、 -. "Preparation method for synthesizing high-carbon alkyl acrylate through catalyzing in-situ acid resin". Paragraph 0044; 0045. . Retrieved 2018/11/27.