2-Propenoic acid, 2-phenylethyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 2-phenylethyl ester
• CAS No.: 3530-36-7
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• Hs Code.: 2916129000
• European Community (EC) Number: 222-562-8
• UNII: 6UAY7Q7GSK
• DSSTox Substance ID: DTXSID1063061
• Nikkaji Number: J216.178H
• Wikidata: Q72501792
• Mol file: 3530-36-7.mol

Synonyms:2-Phenylethyl acrylate;3530-36-7;2-Propenoic acid, 2-phenylethyl ester;Phenethyl acrylate;2-phenylethyl prop-2-enoate;EINECS 222-562-8;AI3-03844;9003-21-8;Acrylic acid phenethyl ester;2-Phenylethyl acrylate #;6UAY7Q7GSK;Phenethyl alcohol, acrylate;SCHEMBL40718;Acrylic acid, phenethyl ester;DTXSID1063061;2-Phenylethyl acrylate,min. 92%;Acrylic acid, 2-phenylethyl ester;MFCD00080620;MFCD28053615;AKOS006343228;CS-0435398;FT-0711170;P2888;A24684;(hydroxymethyl)-cyclopentane;Cyclopentylmethyl alcohol

Chemical Property of 2-Propenoic acid, 2-phenylethyl ester

Chemical Property:

• Vapor Pressure: 0.00658mmHg at 25°C
• Melting Point: 104～106℃/5mm
• Refractive Index: 1.5111 (589.3 nm 20℃)
• Boiling Point: 271.1 °C at 760 mmHg
• Flash Point: 150.5 °C
• PSA: 26.30000
• Density: 1.034 g/cm³
• LogP: 1.95830
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

98% ^*data from raw suppliers

2-PHENYL ETHYL ACRYLATE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Polymers
• Canonical SMILES: C=CC(=O)OCCC1=CC=CC=C1
• Use Description: 2-Phenylethyl acrylate is a chemical compound with versatile applications in different fields. In the realm of polymer chemistry, it serves as a monomer in the synthesis of specialized polymers and copolymers. Its incorporation into polymer chains imparts unique properties such as increased flexibility and improved adhesion, making it valuable in the production of adhesives, coatings, and sealants. Additionally, in the fragrance and flavor industry, this compound can be used as a fragrance ingredient to add floral and fruity notes to perfumes and scented products, enhancing their appeal. Furthermore, in research and development, it may play a role as a starting material for the creation of new compounds and materials with tailored properties. Its adaptability as a monomer, fragrance ingredient, and research tool underscores its significance in advancing polymer chemistry, fragrance creation, and scientific research in various fields.

Technology Process of 2-Propenoic acid, 2-phenylethyl ester

There total 8 articles about 2-Propenoic acid, 2-phenylethyl ester 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: 95.0%

2-phenylethanol (60-12-8) + acrylic acid (79-10-7) → 2-phenylethyl acrylate (3530-36-7)

Guidance literature:

With zirconocene bis(perfluorooctanesulfonate) trihydrate*(tetrahydrofuran); In neat (no solvent); at 80 ℃; chemoselective reaction; Sealed tube; Green chemistry;

DOI:10.1039/c7gc02174g

Reference yield: 90.0%

2-phenylethanol (60-12-8) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 2-phenylethyl acrylate (3530-36-7)

Guidance literature:

With zirconocene bis(perfluorooctanesulfonate) trihydrate*(tetrahydrofuran); In neat (no solvent); at 70 ℃; for 10h; chemoselective reaction; Sealed tube; Green chemistry;

DOI:10.1039/c7gc02174g

Reference yield: 66.0%

vinyl acrylate (2177-18-6,30811-69-9) + 2-phenylethanol (60-12-8) → 2-phenylethyl acrylate (3530-36-7)

Guidance literature:

In 2,2,4-trimethylpentane; at 37 ℃; immobilized lipase from Candida cylindracea;

DOI:10.1016/0040-4039(91)80427-8

upstream raw materials:

2-phenylethanol

ethyl acrylate

vinyl acrylate

acryloyl chloride

Downstream raw materials:

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

2-phenylethanol

acrylic acid methyl ester

N,N-di((2-carbophenethyloxy)ethyl)methanesulfonamide

Refernces

• 1、 Nguyen, Thuy-Khanh,Lam, Shu Jie,Ho, Kitty K. K.,Kumar, Naresh,Qiao, Greg G.,Egan, Suhelen,Boyer, Cyrille,Wong, Edgar H. H.. "Rational Design of Single-Chain Polymeric Nanoparticles That Kill Planktonic and Biofilm Bacteria". . p. 237 - 248. Retrieved 2017/04/21.
• 2、 Zeng, Ruijie,Sheng, Hongting,Zhang, Yongcang,Feng, Yan,Chen, Zhi,Wang, Junfeng,Chen, Man,Zhu, Manzhou,Guo, Qingxiang. "Heterobimetallic dinuclear lanthanide alkoxide complexes as acid-base difunctional catalysts for transesterification". . p. 9246 - 9252. Retrieved 2014/12/11.