Vinyl hexanoate

Base Information

• Chemical Name: Vinyl hexanoate
• CAS No.: 3050-69-9
• Molecular Formula: C8H14 O2
• Molecular Weight: 142.198
• Hs Code.: 2915900090
• European Community (EC) Number: 221-265-0
• NSC Number: 32629
• UNII: GW724Y19YV
• DSSTox Substance ID: DTXSID60184572
• Nikkaji Number: J7.671F
• Wikidata: Q27279312
• Mol file: 3050-69-9.mol

Synonyms:Vinyl hexanoate;3050-69-9;Vinyl caproate;ethenyl hexanoate;vinyl n-hexanoate;Vinyl hexoate;Hexanoic acid, vinyl ester;Hexanoic acid, ethenyl ester;vinylhexanoate;Caproic acid, vinyl ester;Hexanoic Acid Vinyl Ester;UNII-GW724Y19YV;GW724Y19YV;EINECS 221-265-0;NSC-32629;AI3-24255;Hexanoic acid vinyl;caproic acid vinyl ester;n-Caproic acid vinyl ester;SCHEMBL35593;LZWYWAIOTBEZFN-UHFFFAOYSA-;DTXSID60184572;NSC32629;MFCD00048869;NSC 32629;BS-22270;FT-0694076;Q27279312

Chemical Property of Vinyl hexanoate

Chemical Property:

• Vapor Pressure: 1.61mmHg at 25°C
• Refractive Index: 1.4210-1.4230
• Boiling Point: 168.6°Cat760mmHg
• Flash Point: 49.3°C
• PSA: 26.30000
• Density: 0.893g/cm³
• LogP: 2.25340
• Water Solubility.: Practically insoluble in water
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

VinylHexanoate ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OC=C

Technology Process of Vinyl hexanoate

There total 4 articles about Vinyl hexanoate 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:

hexanoic acid (142-62-1) + acetylene (74-86-2,25067-58-7) → vinyl caproate (3050-69-9)

Guidance literature:

With pyrographite; zinc bis(n-hexanoate); at 240 ℃;

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + hexanoic acid (142-62-1) → vinyl caproate (3050-69-9)

Guidance literature:

With sulfuric acid; mercury(II) diacetate;

Reference yield:

acetaldehyde (75-07-0,9002-91-9) + Hexanoyl chloride (142-61-0) → vinyl caproate (3050-69-9)

Guidance literature:

With pyridine;

upstream raw materials:

acetaldehyde

Hexanoyl chloride

vinyl acetate

hexanoic acid

Downstream raw materials:

C₃₇H₃₂O₃

n-octyl hexanoate

(S)-(+)-phenyl-2H-azirine-2-methanol

4-(2-pyridyl)pyridine

Refernces

• 1、 Nakagawa, Hideto,Okimoto, Yoshio,Sakaguchi, Satoshi,Ishii, Yasutaka. "Synthesis of enol and vinyl esters catalyzed by an iridium complex". . p. 103 - 106. Retrieved 2007/10/03.