Decyl acrylate

Base Information

• Chemical Name: Decyl acrylate
• CAS No.: 2156-96-9
• Molecular Formula: C13H24 O2
• Molecular Weight: 212.332
• Hs Code.: 2916129000
• European Community (EC) Number: 218-462-9
• ICSC Number: 0368
• NSC Number: 5929
• UN Number: 3082
• UNII: 0LTY47V4RD
• DSSTox Substance ID: DTXSID9044873
• Nikkaji Number: J55.130I
• Wikidata: Q2522876
• ChEMBL ID: CHEMBL3187720
• Mol file: 2156-96-9.mol

Synonyms:DECYL ACRYLATE;2156-96-9;n-Decyl acrylate;decyl prop-2-enoate;2-Propenoic acid, decyl ester;DECYLACRYLATE;Acrylic acid, decyl ester;0LTY47V4RD;DTXSID9044873;HSDB 5130;NSC 5929;NSC-5929;EINECS 218-462-9;BRN 1772028;AI3-03197;n-Decylacrylate;Acrylic acid decyl;acrylic acid decyl ester;decyl acrylate, AldrichCPR;UNII-0LTY47V4RD;SCHEMBL35387;WLN: 10OV1U1;CHEMBL3187720;DTXCID7024873;NIOSH/AS7405000;NSC5929;BAA33061;Tox21_301739;MFCD00048400;AKOS015903866;NCGC00249127-01;NCGC00256210-01;AS-76934;CAS-2156-96-9;AS74050000;CS-0320686;FT-0634076;I1104;D81854;Q2522876

Chemical Property of Decyl acrylate

Chemical Property:

• Melting Point: -69°C (estimate)
• Refractive Index: 1.4363 (estimate)
• Boiling Point: 270.9 °C at 760 mmHg
• Flash Point: 94.3 °C
• PSA: 26.30000
• Density: 0.878 g/cm³
• LogP: 3.85630
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 164
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

Decylacrylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 36/37/38-51/53
• Safety Statements: 26-28-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> (Meth)acrylates
• Canonical SMILES: CCCCCCCCCCOC(=O)C=C
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes, skin and respiratory tract.

Technology Process of Decyl acrylate

There total 14 articles about Decyl 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: 90.9%

1-Decanol (112-30-1) + acryloyl chloride (814-68-6,25189-84-8) → decyl acrylate (2156-96-9,29500-86-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201610209

Reference yield: 85.0%

1-Decanol (112-30-1) + acrylic acid (79-10-7) → decyl acrylate (2156-96-9,29500-86-5)

Guidance literature:

With iron(III) chloride; at 20 ℃; for 1h;

DOI:10.1055/s-1999-2806

Reference yield: 62.0%

allyl n-decyl ether (3295-96-3) → decyl acrylate (2156-96-9,29500-86-5)

Guidance literature:

With potassium carbonate; 1-(tert-butylperoxy)-1,2-benziodoxol-3(1H)-one; In cyclohexane; at 25 ℃; for 96h;

DOI:10.1021/ja9610287

upstream raw materials:

1-Decanol

acrylic acid methyl ester

acrylic acid

acryloyl chloride

Downstream raw materials:

3-phenyl-3-hydroxy-2-methylene-propanoic acid decyl ester

Refernces

• 1、 Gong, Shuang,Hong, Kui,Liang, Jian-Jia,Liu, Ten-Yue,Qin, Kong-Ming,Xie, Bao-Hua,Yan, Jing-Jing,Yang, Liang,Yin, Yu-Ping,Yu, Wu-Lin,Zhou, Hai-Bing. "Design and synthesis of marine sesterterpene analogues as novel estrogen receptor α degraders for breast cancer treatment". . . Retrieved 2022/01/08.
• 2、 Kumar, Pandari Phani,Nayak, Rati Ranjan,Kanjilal, Sanjit. "Synthesis and Surface Properties of a Novel Sodium 3-(3-Alkyloxy-3-oxopropoxy)-3-oxopropane-1-sulfonate at the Air-Water Interface". . p. 689 - 695. Retrieved 2015/06/23.