Propyl salicylate

Base Information

• Chemical Name: Propyl salicylate
• CAS No.: 607-90-9
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918230000
• European Community (EC) Number: 210-145-3
• NSC Number: 8221
• UNII: 8CP40IDZ6D
• DSSTox Substance ID: DTXSID3046790
• Nikkaji Number: J47.837G
• Wikidata: Q27270196
• ChEMBL ID: CHEMBL1986011
• Mol file: 607-90-9.mol

Synonyms:Propyl salicylate;Propyl 2-Hydroxybenzoate;607-90-9;Salicylic acid n-propyl ester;Salicylic acid, propyl ester;Propyl o-hydroxybenzoate;Benzoic acid, 2-hydroxy-, propyl ester;n-Propyl salicylate;UNII-8CP40IDZ6D;Salicylic Acid Propyl Ester;8CP40IDZ6D;DTXSID3046790;NSC 8221;NSC-8221;EINECS 210-145-3;Benzoic acid, hydroxy-, propyl ester;NCGC00180996-01;AI3-23185;29468-39-1;2-Hydroxy-benzoic acid propyl ester;SCHEMBL39575;Propyl salicylate, AldrichCPR;Salicylic acid, n-propyl ester;CHEMBL1986011;DTXCID1026790;NSC8221;2-Hydroxybenzoic Acid Propyl Ester;PROPYL SALICYLATE [WHO-DD];Tox21_112649;MFCD00045763;AKOS008947778;AS-58245;CAS-607-90-9;CS-0187616;FT-0632530;S0441;D85924;Q27270196;Z53833297

Chemical Property of Propyl salicylate

Chemical Property:

• Vapor Pressure: 0.0266mmHg at 25°C
• Melting Point: 97°C
• Refractive Index: 1.531
• Boiling Point: 239 °C at 760 mmHg
• PKA: 8.16±0.30(Predicted)
• Flash Point: 100.5 °C
• PSA: 46.53000
• Density: 1.134 g/cm³
• LogP: 1.95900
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

Propyl2-Hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propyl salicylate

There total 9 articles about Propyl 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: 96.0%

propan-1-ol (71-23-8) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → propyl salicylate (607-90-9)

Guidance literature:

With alumina methanesulfonic acid; at 120 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1080/00397911.2013.875210

Reference yield: 86.0%

propan-1-ol (71-23-8) + methyl salicylate (119-36-8,8024-54-2) → propyl salicylate (607-90-9)

Guidance literature:

With chloro-trimethyl-silane; at 25 ℃; for 6h;

DOI:10.1080/00397919908086082

Reference yield: 67.0%

1-Chloropropane (540-54-5) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → propyl salicylate (607-90-9)

Guidance literature:

With 1,1'-(hexane-1,6-diyl)bis(1,8-diazabicyclo[5.4.0]undec-7-enium) dichlorine; In ethanol; water; at 70 ℃; for 2.5h; Green chemistry;

DOI:10.1007/s10562-017-2184-4

upstream raw materials:

di-n-propyl phosphonate

salicylic acid

propan-1-ol

propyl nitrate

Downstream raw materials:

1-isopropyl-2-phenoxybenzene

2-hydroxy-5-isopropyl-benzoic acid methyl ester

3-Isopropylsalicylic acid methyl ester

methyl salicylate

Refernces

• 1、 Liu, Yang,Mao, Guijie,Zhao, Hongyan,Song, Jinyi,Han, Huatao,Li, Zhuofei,Chu, Wenyi,Sun, Zhizhong. "DBU-Based Dicationic Ionic Liquids Promoted Esterification Reaction of Carboxylic Acid with Primary Chloroalkane Under Mild Conditions". . p. 2764 - 2771. Retrieved 2017/09/14.
• 2、 Nakanishi, Takayuki,Suzuki, Yuki,Doi, Yoshihiro,Seki, Tomohiro,Koizumi, Hitoshi,Fushimi, Koji,Fujita, Koji,Hinatsu, Yukio,Ito, Hajime,Tanaka, Katsuhisa,Hasegawa, Yasuchika. "Enhancement of optical faraday effect of nonanuclear Tb(III) complexes". . p. 7635 - 7641. Retrieved 2014/08/05.