Benzoic acid, octadecyl ester

Base Information

• Chemical Name: Benzoic acid, octadecyl ester
• CAS No.: 10578-34-4
• Molecular Formula: C25H42O2
• Molecular Weight: 374.607
• Hs Code.: 2916310090
• European Community (EC) Number: 234-169-9
• UNII: 7HD51EXK79
• DSSTox Substance ID: DTXSID1065130
• Nikkaji Number: J227.003J
• Wikidata: Q27268297
• Mol file: 10578-34-4.mol

Synonyms:Octadecyl benzoate;Benzoic acid, octadecyl ester;Stearyl benzoate;10578-34-4;UNII-7HD51EXK79;7HD51EXK79;EINECS 234-169-9;Benzoic acid, stearyl ester;Octadecylbenzoate;benzoic acid octadecyl ester;SCHEMBL246510;STEARYL BENZOATE [INCI];DTXSID1065130;F71698;Q27268297

Chemical Property of Benzoic acid, octadecyl ester

Chemical Property:

• Vapor Pressure: 6.47E-09mmHg at 25°C
• Refractive Index: 1.484
• Boiling Point: 467.5 °C at 760 mmHg
• Flash Point: 197.7 °C
• PSA: 26.30000
• Density: 0.918 g/cm³
• LogP: 8.10490
• XLogP3: 11.1
• 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:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1

Technology Process of Benzoic acid, octadecyl ester

There total 17 articles about Benzoic acid, octadecyl ester 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: 98.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 1-octadecanol (112-92-5) → stearyl benzoate (10578-34-4)

Guidance literature:

With iron(III)-acetylacetonate; sodium carbonate; In n-heptane; at 105 ℃; for 7h; Inert atmosphere;

DOI:10.1016/j.tet.2011.01.009

Reference yield: 96.0%

titanium(IV) isopropylate (546-68-9) + 1-octadecanol (112-92-5) → stearyl benzoate (10578-34-4)

Guidance literature:

With sodium hydroxide; sodium sulfate; In toluene;

Reference yield: 90.0%

1-octadecanol (112-92-5) + benzoic acid ethyl ester (93-89-0,99341-95-4) → stearyl benzoate (10578-34-4)

Guidance literature:

With lithium hexamethyldisilazane; In neat (no solvent); at 0 - 20 ℃; for 3h;

DOI:10.1016/j.catcom.2020.106194

upstream raw materials:

1-octadecanol

benzoyl chloride

C₉H₁₀O₃

2-oxopropyl benzoate

Downstream raw materials:

octadec-1-ene

benzoic acid

O-Octadecyl thiobenzoate

Refernces

• 1、 Toyao, Takashi,Nurnobi Rashed, Md.,Morita, Yoshitsugu,Kamachi, Takashi,Hakim Siddiki,Ali, Md. A.,Touchy,Kon, Kenichi,Maeno, Zen,Yoshizawa, Kazunari,Shimizu, Ken-ichi. "Esterification of Tertiary Amides by Alcohols Through C?N Bond Cleavage over CeO2". . p. 449 - 456. Retrieved 2018/09/11.
• 2、 Weng, Shiue-Shien,Ke, Chih-Shueh,Chen, Fong-Kuang,Lyu, You-Fu,Lin, Guan-Ying. "Transesterification catalyzed by iron(III) β-diketonate species". experimental part. p. 1640 - 1648. Retrieved 2011/04/17.