Allyl acetate

Base Information

• Chemical Name: Allyl acetate
• CAS No.: 591-87-7
• Molecular Formula: C5H8O2
• Molecular Weight: 100.117
• Hs Code.: 29153990
• European Community (EC) Number: 209-734-8
• NSC Number: 7612
• UN Number: 2333
• UNII: E4U5E5990I
• DSSTox Substance ID: DTXSID9024437
• Nikkaji Number: J35.906H
• Wikipedia: Allyl_acetate
• Wikidata: Q4488673
• Metabolomics Workbench ID: 125262
• ChEMBL ID: CHEMBL1890774
• Mol file: 591-87-7.mol

Synonyms:allyl acetate

Chemical Property of Allyl acetate

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 31.4mmHg at 25°C
• Melting Point: 6 °C
• Refractive Index: n20/D 1.404(lit.)
• Boiling Point: 103.999 °C at 760 mmHg
• Flash Point: 6.667 °C
• PSA: 26.30000
• Density: 0.913 g/cm³
• LogP: 0.73550
• Storage Temp.: Refrigerator (+4°C) + Flammables area
• Solubility.: 28g/l
• Water Solubility.: slightly
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 100.052429494
• Heavy Atom Count: 7
• Complexity: 76.1
• Transport DOT Label: Flammable Liquid Poison

Purity/Quality:

95+% ^*data from raw suppliers

Allyl Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-21-23/25-36-25
• Safety Statements: 16-26-36-45-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CC(=O)OCC=C
• Uses: Ally acetate is used in nonalcoholic beverages at 1 ppm, ice cream and ices at 2 ppm, candy at 5 ppm, baked goods at 5 ppm, and margarine at 2 ppm. Ally acetate is used in industrial intermediate. Used in synthesis of colophony and bond.

Technology Process of Allyl acetate

There total 84 articles about Allyl acetate 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%

acetic acid (64-19-7,77671-22-8) + allyl bromide (106-95-6) → Allyl acetate (591-87-7)

Guidance literature:

With acetic anhydride; zinc(II) oxide; at 100 ℃; for 5h;

DOI:10.1016/0040-4020(82)80261-5

Reference yield: 99.0%

acetic anhydride (108-24-7) + allyl alcohol (107-18-6) → Allyl acetate (591-87-7)

Guidance literature:

With bis(trifluoromethane)sulfonimide lithium; at 30 ℃; for 22h; Catalytic behavior;

DOI:10.1080/00397911.2011.589563

Reference yield: 98.1%

acetyl chloride (75-36-5) + allyl alcohol (107-18-6) → Allyl acetate (591-87-7)

Guidance literature:

With triethylamine; In dichloromethane; at 5 - 20 ℃; for 4h;

upstream raw materials:

allyl iodid

silver(I) acetate

1,3-diacetoxypropane

1,2-diacetoxypropane

Downstream raw materials:

2,5-dioxo-cyclohexane-1,4-dicarboxylic acid diallyl ester

1-acetoxy-2,3-dibromopropane

1-acetoxy-3-(dichloro-phenyl-silanyl)-propane

acetic acid-(3-phenylsilanyl-propyl ester)

Refernces

• 1、 Minachev, Kh. M.,Nefedov, O. M.,Kharlamov, V. V.,Panov, S. Yu.,Shkitov, A. M.,Trofimov, M. I.. "KINETICS OF OXIDATIVE ACETOXYLATION OF PROPYLENE ON PALLADIUM-COPPER ZEOLITIC CATALYST". . p. 2409 - 2413. Retrieved 1983.
• 2、 Stolyarov, I. P.,Vargaftik, M. N.,Nefedov, O. M.,Moiseev, I. I.. "OXIDATION OF PROPYLENE BY BENZOYL PEROXIDE TO ALLYL ACETATE CATALYZED BY A PALLADIUM CLUSTER AND Pd BLACK". . p. 1327. Retrieved 1983.
• 3、 Grellier, Mary,Pfeffer, Michel. "Heterocyclization, deprotection and isomerization in an intramolecular palladium-catalysed tertiary amine-allyl coupling reaction". . p. 2257 - 2258. Retrieved 1996.
• 4、 Hu, Hao,Ota, Hajime,Baek, Heeyoel,Shinohara, Kenta,Mase, Toshiaki,Uozumi, Yasuhiro,Yamada, Yoichi M. A.. "Second-Generation meta-Phenolsulfonic Acid-Formaldehyde Resin as a Catalyst for Continuous-Flow Esterification". supporting information. p. 160 - 163. Retrieved 2020/01/02.
• 5、 Ait Khouya, Ahmed,Mendez Martinez, Miguel L.,Bertani, Philippe,Romero, Thierry,Favier, Damien,Roland, Thierry,Guidal, Valentin,Bellière-Baca, Virginie,Edouard, David,Jierry, Lo?c,Ritleng, Vincent. "Coating of polydopamine on polyurethane open cell foams to design soft structured supports for molecular catalysts". supporting information. p. 11960 - 11963. Retrieved 2019/10/11.