Octadecyl salicylate

Base Information

• Chemical Name: Octadecyl salicylate
• CAS No.: 14971-14-3
• Molecular Formula: C25H42 O3
• Molecular Weight: 390.607
• Hs Code.: 2918230000
• European Community (EC) Number: 239-046-3
• NSC Number: 97319
• DSSTox Substance ID: DTXSID40164372
• Nikkaji Number: J93.044J
• Wikidata: Q83033453
• Mol file: 14971-14-3.mol

Synonyms:Octadecyl salicylate;14971-14-3;octadecyl 2-hydroxybenzoate;Stearyl salicylate;EINECS 239-046-3;Salicylic acid, octadecyl ester;NSC 97319;BRN 2874488;Benzoic acid, 2-hydroxy-, octadecyl ester;3-10-00-00125 (Beilstein Handbook Reference);Benzoic acid, 2-hydroxy-, octadecyl ester (9CI);Salicylic acid octadecyl ester;SCHEMBL4067879;DTXSID40164372;NSC97319;NSC-97319;LS-144390

Chemical Property of Octadecyl salicylate

Chemical Property:

• Vapor Pressure: 9.19E-10mmHg at 25°C
• Boiling Point: 478.1°Cat760mmHg
• Flash Point: 175.9°C
• PSA: 46.53000
• Density: 0.961g/cm³
• LogP: 7.81050
• XLogP3: 12.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 390.31339520
• Heavy Atom Count: 28
• Complexity: 356

Purity/Quality:

99% ^*data from raw suppliers

OCTADECYL SALICYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1O

Technology Process of Octadecyl salicylate

There total 4 articles about Octadecyl salicylate 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%

1-octadecanol (112-92-5) + methyl salicylate (119-36-8,8024-54-2) → octadecyl 2-hydroxybenzoate (14971-14-3)

Guidance literature:

1-octadecanol; methyl salicylate; In xylene; for 0.5h; Heating;

With TiO(acac)2; In xylene; for 10h; Heating;

DOI:10.1021/jo0484878

Reference yield: 94.0%

1-octadecanol (112-92-5) + 2-hydroxy-benzoic acid ethyl ester (118-61-6) → octadecyl 2-hydroxybenzoate (14971-14-3)

Guidance literature:

With iron(III)-acetylacetonate; In n-heptane; at 105 ℃; for 35h; Inert atmosphere;

DOI:10.1016/j.tet.2011.01.009

Reference yield:

1-octadecanol (112-92-5) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → octadecyl 2-hydroxybenzoate (14971-14-3)

Guidance literature:

With sulfuric acid; toluene; unter Entfernen des entstehenden Wassers;

upstream raw materials:

1-octadecanol

salicylic acid

methyl salicylate

2-hydroxy-benzoic acid ethyl ester

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