Vinyl stearate

Base Information

• Chemical Name: Vinyl stearate
• CAS No.: 111-63-7
• Deprecated CAS: 96316-89-1
• Molecular Formula: C20H38 O2
• Molecular Weight: 310.521
• Hs Code.: 2915709000
• European Community (EC) Number: 203-890-0
• NSC Number: 20891,5641
• UNII: F6L6TFV7BX
• DSSTox Substance ID: DTXSID20861736
• Nikkaji Number: J10.106K
• Wikidata: Q27277716
• Mol file: 111-63-7.mol

Synonyms:Vinyl stearate;111-63-7;Octadecanoic acid, ethenyl ester;ethenyl octadecanoate;Stearic acid, vinyl ester;VinylStearate(stabilizedwithMEHQ);UNII-F6L6TFV7BX;F6L6TFV7BX;Vinyl stearate (stabilized with MEHQ);NSC-5641;EINECS 203-890-0;NSC 20891;NSC-20891;AI3-23120;vinyl octadecanoate;Stearic acid vinyl;STEARATE, VINYL;Stearic Acid Vinyl Ester;Vinyl stearate,min. 95%;SCHEMBL20476;DTXSID20861736;NSC5641;NSC20891;MFCD00026667;AKOS015916173;FS-4089;HY-W106426;Vinyl stearate, inhibitor MEHQ (20ppm);CS-0167847;FT-0631628;S0241;D95414;Q27277716;Vinyl stearate, contains 20 ppm MEHQ as inhibitor, 95%

Chemical Property of Vinyl stearate

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 3.91E-06mmHg at 25°C
• Melting Point: 35-37 °C(lit.)
• Refractive Index: 1.4423 (30/D)
• Boiling Point: 145 °C(lit.)
• Flash Point: 113 C (closed cup)
• PSA: 26.30000
• Density: 0.904 g/mL at 25 °C(lit.)
• LogP: 6.93460
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in water
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 310.287180451
• Heavy Atom Count: 22
• Complexity: 248

Purity/Quality:

Vinyl Stearate (stabilized with MEHQ) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC=C
• Uses: Plasticizer (copolymerizer), lubricant.

Technology Process of Vinyl stearate

There total 8 articles about Vinyl stearate 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: 77.0%

stearic acid (57-11-4) + acetylene (74-86-2,25067-58-7) → vinyl stearate (111-63-7,9003-95-6)

Guidance literature:

With maleic anhydride; tributylphosphine; bis(η⁵-cyclooctadienyl)ruthenium; In toluene; at 80 ℃; for 4h;

DOI:10.1021/jo00387a024

Reference yield:

potassium stearate (593-29-3) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 1-tetradecene (1120-36-1) + 1-tridecene (2437-56-1) + 1-pentadecene (13360-61-7) + 1-Hexadecene (629-73-2) + heptadec-1-ene (6765-39-5) + vinyl stearate (111-63-7,9003-95-6)

Guidance literature:

for 0.166667h; Pyrolysis; Microwave irradiation;

DOI:10.14233/ajchem.2014.15402

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + stearic acid (57-11-4) → vinyl stearate (111-63-7,9003-95-6)

Guidance literature:

With sulfuric acid; mercury(II) diacetate; at 30 ℃;

upstream raw materials:

acetaldehyde

Stearoyl chloride

vinyl acetate

stearic acid

Downstream raw materials:

(S)-1-stearoyl-2-O-benzyl-sn-glycerol

3-O-benzyl-1,2-dioctadecanoyl-sn-glycerol

3-O-Benzyl-1-O-octadecanoyl-sn-glycerin

(S)-1-phenylethanol

Refernces

• 1、 Morosoff et al.. "". . p. 3035,3036, 3037. Retrieved 1965.
• 2、 -. "METHOD FOR SEPARATING HIGH-BOILING CARBOXYLIC ACID VINYL ESTER/CARBOXYLIC ACID MIXTURES". Paragraph 0039. . Retrieved 2017/05/15.
• 3、 -. "Anti-solar polymers, method of making the same and cosmetic compositions containing the same". . . Retrieved 2008/06/13.