Amyl salicylate

Base Information

• Chemical Name: Amyl salicylate
• CAS No.: 2050-08-0
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• Hs Code.: 2918230000
• European Community (EC) Number: 218-080-2
• NSC Number: 403668,46125,44877
• UNII: VZO9C30208
• DSSTox Substance ID: DTXSID9029227
• Nikkaji Number: J48.324I
• Wikidata: Q27160231
• Metabolomics Workbench ID: 48270
• Mol file: 2050-08-0.mol

Synonyms:pentyl salicylate

Chemical Property of Amyl salicylate

Chemical Property:

• Vapor Pressure: 0.00144mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 287.5 °C at 760 mmHg
• PKA: 8.16±0.30(Predicted)
• Flash Point: 113.3 °C
• PSA: 46.53000
• Density: 1.085 g/cm³
• LogP: 2.73920
• Storage Temp.: -20°C
• Water Solubility.: 5.5mg/L at 20℃
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Amyl salicylate reference material ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Amyl salicylate

There total 3 articles about Amyl 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: 89.0%

pentan-1-ol (71-41-0) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → 2-hydroxy-benzoic acid, pentyl ester (2050-08-0)

Guidance literature:

With nano-SiO₂-supported Preyssler heteropolyacid; In dichloroethane; at 80 ℃; for 0.05h; Microwave irradiation;

DOI:10.1016/S1872-2067(10)60219-7

Reference yield:

pentan-1-ol (71-41-0) + salicylaldehyde (90-02-8) → 2-hydroxy-benzoic acid, pentyl ester (2050-08-0)

Guidance literature:

With cation-exchange resin 001x7 modified with Ce(SO₄)₂; at 94.84 ℃; for 12h; under 760.051 Torr;

DOI:10.4067/S0717-97072012000400029

Reference yield:

→ 2-hydroxy-benzoic acid, pentyl ester (2050-08-0)

Guidance literature:

Saeure, Alkohol (Ionenaustauscher);

upstream raw materials:

pentan-1-ol

salicylic acid

salicylaldehyde

Downstream raw materials:

n-amyl O-(2-diethylaminoethyl)salicylate

n-amyl O-(2-dimethylaminoethyl)salicylate

n-amyl O-(3-dimethylamino-2-methylpropyl)salicylate

n-amyl O-(2-diisopropylaminoethyl)salicylate

Refernces

• 1、 Mancuso, Raffaella,Ferlazzo, Nadia,De Luca, Giorgio,Amuso, Roberta,Piccionello, Antonio Palumbo,Giofrè, Salvatore V.,Navarra, Michele,Gabriele, Bartolo. "Synthesis, computational evaluation and pharmacological assessment of acetylsalicylic esters as anti-inflammatory agents". . p. 292 - 299. Retrieved 2019/01/09.
• 2、 Bamoharram, Fatemeh F.,Heravi, Majid M.,Ebrahimi, Javad,Tavakoli-Hoseini, Nilofar. "Esterification of salicylic acid using Br?nsted acidic ionic liquid based on Keggin heteropoly acid". . p. 36 - 42. Retrieved 2016/09/23.