Benzyl oleate

Base Information

• Chemical Name: Benzyl oleate
• CAS No.: 55130-16-0
• Molecular Formula: C25H40 O2
• Molecular Weight: 372.591
• Hs Code.: 2916150000
• European Community (EC) Number: 259-492-2
• UNII: FI7N6S2977
• DSSTox Substance ID: DTXSID301317700
• Nikkaji Number: J530.068A
• Wikidata: Q27277995
• Mol file: 55130-16-0.mol

Synonyms:Benzyl oleate;55130-16-0;benzyl (Z)-octadec-9-enoate;UNII-FI7N6S2977;FI7N6S2977;EINECS 259-492-2;9-Octadecenoic acid (Z)-, phenylmethyl ester;Oleic acid benzyl ester;SCHEMBL4623958;OLEIC ACID, BENZYL ESTER;Benzyl (9Z)-9-octadecenoate #;DTXSID301317700;C25H40O2;C25-H40-O2;9-Octadecenoic acid(9Z)-, phenylmethyl ester;Q27277995

Chemical Property of Benzyl oleate

Chemical Property:

• Vapor Pressure: 8.05E-09mmHg at 25°C
• Refractive Index: 1.4875 (estimate)
• Boiling Point: 464.9°C at 760 mmHg
• Flash Point: 106.4°C
• PSA: 26.30000
• Density: 0.931g/cm³
• LogP: 7.76730
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 372.302830514
• Heavy Atom Count: 27
• Complexity: 355

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC1=CC=CC=C1
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC1=CC=CC=C1

Technology Process of Benzyl oleate

There total 7 articles about Benzyl oleate 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%

cis-Octadecenoic acid (112-80-1,2027-47-6) + benzyl alcohol (100-51-6,185532-71-2) → benzyl (Z)-9-octadecenoate (55130-16-0)

Guidance literature:

With toluene-4-sulfonic acid; In water; benzene; for 22h; Heating;

DOI:10.1021/jo9610570

Reference yield: 99.0%

(9S,10R)-9,10-Bis-methanesulfonyloxy-octadecanoic acid benzyl ester → benzyl (Z)-9-octadecenoate (55130-16-0)

Guidance literature:

With sodium tetrahydroborate; (CF₃(CF₂)5C₆H₄Se)2; In tetrahydrofuran; ethanol; Heating;

DOI:10.1021/ol0066532

Reference yield: 83.0%

(9S,10R)-9,10-Bis-methanesulfonyloxy-octadecanoic acid benzyl ester → benzyl (Z)-9-octadecenoate (55130-16-0)

Guidance literature:

With tellurium; lithium triethylborohydride; In tetrahydrofuran; 1,4-dioxane; 1) rt, 14 h; 2) 100 deg C, 2 h; other reagent: Li₂Se;

DOI:10.1021/jo9610570

upstream raw materials:

(Z)-9-octadecenoyl chloride

sodium Oleate

benzyl chloride

cis-Octadecenoic acid

Downstream raw materials:

Oleic aldehyde

oleoyl alcohol

Refernces

• 1、 Kim, Yo-Han,Han, Jusung,Jung, Byeong Yeon,Baek, Heeyoel,Yamada, Yoichi M. A.,Uozumi, Yasuhiro,Lee, Yoon-Sik. "Production of Valuable Esters from Oleic Acid with a Porous Polymeric Acid Catalyst without Water Removal". supporting information. p. 29 - 32. Retrieved 2015/12/26.
• 2、 -. "AMPHIPHILIC CYCLOBUTENES AND CYCLOBUTANES". Page/Page column 44. . Retrieved 2014/01/07.