Acrylic acid isoamyl ester

Base Information

• Chemical Name: Acrylic acid isoamyl ester
• CAS No.: 4245-35-6
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• Hs Code.: 2916129000
• European Community (EC) Number: 224-204-6
• NSC Number: 20955
• DSSTox Substance ID: DTXSID2074661
• Nikkaji Number: J93.724J
• Wikidata: Q82002908
• Mol file: 4245-35-6.mol

Synonyms:Acrylic acid isoamyl ester;4245-35-6;3-methylbutyl prop-2-enoate;Isopentyl acrylate;ACRYLICACIDISOAMYLESTER;Isoamyl Acrylate (stabilized with HQ);2-Propenoic acid, 3-methylbutyl;acrylic acid 3-methyl-butyl ester;EINECS 224-204-6;2-Propenoic acid, 3-methylbutyl ester;3-methylbutyl acrylate;Isoamyl=acrylate;Isoamyl Acrylate;iso-amyl acrylate;Isopentyl acrylate #;Acrylic Acid Isopentyl Ester;SCHEMBL34661;DTXSID2074661;NSC20955;MFCD00053725;NSC 20955;NSC-20955;AKOS006228962;Isoamyl Acrylate, (stabilized with HQ);BS-23466;A0890;D88346

Chemical Property of Acrylic acid isoamyl ester

Chemical Property:

• Vapor Pressure: 2.08mmHg at 25°C
• Melting Point: -65.52°C (estimate)
• Refractive Index: n20/D 1.422(lit.)
• Boiling Point: 163.3 °C at 760 mmHg
• Flash Point: 45.4 °C
• PSA: 26.30000
• Density: 0.891 g/cm³
• LogP: 1.76170
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isoamyl Acrylate (stabilized with HQ) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(=O)C=C

Technology Process of Acrylic acid isoamyl ester

There total 8 articles about Acrylic acid isoamyl 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:

i-Amyl alcohol (123-51-3) + acryloyl chloride (814-68-6,25189-84-8) → 3-methylbutyl acrylate (4245-35-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 25 ℃; for 5h; Inert atmosphere;

DOI:10.1021/acsinfecdis.6b00203

Reference yield:

→ 3-methylbutyl acrylate (4245-35-6)

Guidance literature:

With sulfuric acid; β-naphthol; at 200 ℃; under 20 - 35 Torr;

Reference yield:

i-Amyl alcohol (123-51-3) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 3-methylbutyl acrylate (4245-35-6)

Guidance literature:

With sulfuric acid; hydroquinone; Abdestillieren des entstandenen Methanols als azeotrop mit Methylacrylat;

DOI:10.1021/ja01238a035

upstream raw materials:

i-Amyl alcohol

acrylic acid methyl ester

acrylic acid

3-chloro-propionic acid isopentyl ester

Downstream raw materials:

isoamyl 4-methoxycinnamate

1-[2-(3-Methyl-butoxycarbonyl)-ethyl]-4-(phenyl-propionyl-amino)-piperidine-4-carboxylic acid methyl ester

bicyclo<2.2.1>hept-5-en-2-carbonsaeure-3-methylbutylester

Refernces