Benzyl stearate

Base Information

• Chemical Name: Benzyl stearate
• CAS No.: 5531-65-7
• Molecular Formula: C25H42 O2
• Molecular Weight: 374.607
• Hs Code.: 2915709000
• European Community (EC) Number: 226-879-2
• UNII: 78032NV0EG
• DSSTox Substance ID: DTXSID0063945
• Nikkaji Number: J161.156I
• Wikidata: Q27266619
• Mol file: 5531-65-7.mol

Synonyms:Benzyl stearate;5531-65-7;benzyl octadecanoate;Octadecanoic acid, phenylmethyl ester;Octadecanoic Acid Phenylmethyl Ester;UNII-78032NV0EG;78032NV0EG;EINECS 226-879-2;AI3-02112;benzylstearate;octadecanoic acid benzyl ester;Benzyl stearate #;Stearic acid benzyl ester;SCHEMBL1322235;DTXSID0063945;STEARIC ACID, BENZYL ESTER;AMY28246;MFCD00040014;AKOS030228013;AS-62526;CS-0168206;Q27266619

Chemical Property of Benzyl stearate

Chemical Property:

• Vapor Pressure: 1.24E-08mmHg at 25°C
• Boiling Point: 459.7°Cat760mmHg
• Flash Point: 100.3°C
• PSA: 26.30000
• Density: 0.921g/cm³
• LogP: 7.99130
• XLogP3: 10
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 374.318480578
• Heavy Atom Count: 27
• Complexity: 320

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1

Technology Process of Benzyl stearate

There total 12 articles about Benzyl 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: 95.0%

stearic acid (57-11-4) + benzyl alcohol (100-51-6,185532-71-2) → benzyl stearate (5531-65-7)

Guidance literature:

With cerium(IV) trifluoromethanesulfonate; In tetrachloromethane; for 3h; Heating;

DOI:10.1246/bcsj.72.455

Reference yield: 93.0%

octadecanoyl fluoride (1511-79-1) + benzyl alcohol (100-51-6,185532-71-2) → benzyl stearate (5531-65-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1016/S0022-1139(02)00004-0

Reference yield: 87.0%

Methyl stearate (112-61-8) + benzyl alcohol (100-51-6,185532-71-2) → benzyl stearate (5531-65-7)

Guidance literature:

With K5; In toluene; at 85 ℃; for 10h;

DOI:10.1055/s-2006-942456

upstream raw materials:

benzyl (Z)-9-octadecenoate

sodium stearate

benzyl chloride

silver⁽¹⁺⁾ stearate

Downstream raw materials:

n-butyl stearate

stearic acid ethyl ester

Methyl stearate

Refernces

• 1、 Rouhi-Saadabad, Hamed,Akhlaghinia, Batool. "Direct, rapid and convenient synthesis of esters and thioesters using PPh3/N-chlorobenzotriazole system". . p. 253 - 263. Retrieved 2014/02/14.
• 2、 Iranpoor, Nasser,Firouzabadi, Habib,Khalili, Dariush. "5,5′-Dimethyl-3,3′-azoisoxazole as a new heterogeneous azo reagent for esterification of phenols and selective esterification of benzylic alcohols under Mitsunobu conditions". supporting information; experimental part. p. 4436 - 4443. Retrieved 2010/11/05.