Vinyl butyrate

Base Information

• Chemical Name: Vinyl butyrate
• CAS No.: 123-20-6
• Molecular Formula: C6H10 O2
• Molecular Weight: 114.144
• Hs Code.: 29156000
• European Community (EC) Number: 204-609-4
• NSC Number: 5280
• UN Number: 2838
• UNII: DW94WV9JCH
• DSSTox Substance ID: DTXSID0074556
• Nikkaji Number: J45.693D
• Wikidata: Q63409625
• Mol file: 123-20-6.mol

Synonyms:butanoic acid, etheyl ester;vinyl butanoate;vinyl butyrate

Chemical Property of Vinyl butyrate

Chemical Property:

• Vapor Pressure: 15.6mmHg at 25°C
• Melting Point: -80°C
• Refractive Index: n20/D 1.410
• Boiling Point: 115-117°C
• Flash Point: 26.4°C
• PSA: 26.30000
• Density: 0.904g/cm³
• LogP: 1.47320
• Storage Temp.: 2-8°C
• Water Solubility.: Slightly soluble in water
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 86.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98%min ^*data from raw suppliers

Vinyl Butyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Flammable, dangerous fire risk.
• Hazard Codes: F,Xn
• Statements: 11-20-2017/11/20
• Safety Statements: 16-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CCCC(=O)OC=C
• Uses: Vinyl Butyrate is a general chemical reagent used in the synthesis of isoxazolidines.

Technology Process of Vinyl butyrate

There total 5 articles about Vinyl butyrate 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:

acetylene (74-86-2,25067-58-7) + butyric acid (107-92-6) → vinyl n-butyrate (123-20-6,24991-31-9)

Guidance literature:

With zinc(II) butyrate; at 170 ℃; under 9561.6 Torr;

DOI:10.1016/S0889-8545(00)80030-3

Reference yield:

acetylene (74-86-2,25067-58-7) + butyric acid (107-92-6) → vinyl n-butyrate (123-20-6,24991-31-9) + ethylidene dibytanoate (25572-25-2)

Guidance literature:

With zinc(II) butyrate; toluene; at 170 ℃; under 14710.2 Torr;

DOI:10.1016/S0889-8545(00)80030-3

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + butyric acid (107-92-6) → vinyl n-butyrate (123-20-6,24991-31-9)

Guidance literature:

With sulfuric acid; mercury(II) diacetate;

upstream raw materials:

acetylene

butyric acid

vinyl acetate

Downstream raw materials:

vinyl formate

2,6-dimethylquinoline

2-methylquinoline

N-phenylbutyramide

Refernces

Resolution of 2-aryloxy-1-propanols via lipase-catalyzed enantioselective acylation in organic media

10.1016/S0957-4166(01)00258-0

The research aimed to resolve 2-aryloxy-1-propanols, a class of primary alcohols with an oxygen atom at the stereocenter, with good to high enantioselectivity using Pseudomonas sp. lipase-catalyzed acylation with vinyl butanoate in di-iso-propyl ether. The study examined the impact of various factors on enantioselectivity, including solvents, acyl donors, and temperature. The researchers successfully prepared enantiomerically pure (R)-2-(4-chlorophenoxy)-1-propanol on a gram scale, demonstrating that Pseudomonas lipases are effective for the resolution of primary alcohols. Key chemicals used in the process included 2-aryloxy-1-propanols, vinyl butanoate, and various lipases from different sources, as well as solvents such as di-iso-propyl ether, acetonitrile, and benzene. The conclusions highlighted the significance of the acyl donor and temperature on the enantioselectivity of the enzymatic transesterification, showcasing the utility of Pseudomonas sp. lipases in achieving high enantiomeric purity of primary alcohols.