2,3-Epoxypropyl benzoate

Base Information

• Chemical Name: 2,3-Epoxypropyl benzoate
• CAS No.: 13443-29-3
• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.188
• European Community (EC) Number: 236-583-5
• NSC Number: 56512
• UNII: SXW5EAQ76H
• DSSTox Substance ID: DTXSID901030564
• Nikkaji Number: J42.710A
• ChEMBL ID: CHEMBL244157
• Mol file: 13443-29-3.mol

Synonyms:oxiran-2-ylmethyl benzoate;2,3-Epoxypropyl benzoate;Glycidyl benzoate;13443-29-3;Oxiranemethanol, benzoate;Monoglycidyl benzoate;Denacol EX 191;((Benzoyloxy)methyl)oxirane;Glycidol, benzoate;2-Oxiranemethanol,2-benzoate;2-((Benzoyloxy)methyl)oxirane;EINECS 236-583-5;NSC 56512;SXW5EAQ76H;BENZOIC ACID, 2,3-EPOXYPROPYL ESTER;1-Propanol, 2,3-epoxy-, benzoate;NSC-56512;oxiran-2-ylmethylbenzoate;UNII-SXW5EAQ76H;2,3 Epoxypropyl Benzoate;benzoic acid glycidyl ester;WLN: T3OTJ B1OVR;Glycidol, benzoate (6CI);SCHEMBL133986;2-Oxiranemethanol, 2-benzoate;CHEMBL244157;1-Propanol,3-epoxy-, benzoate;Benzoic acid,3-epoxypropyl ester;DTXSID901030564;NSC56512;AKOS000276089;AKOS016041683;LS-37349;BENZOIC ACID 2,3-EPOXYPROPYL ESTER;1-Propanol, 2,3-epoxy-, benzoate (7CI,8CI)

Chemical Property of 2,3-Epoxypropyl benzoate

Chemical Property:

• Vapor Pressure: 0.00599mmHg at 25°C
• Boiling Point: 272.7°Cat760mmHg
• Flash Point: 109°C
• PSA: 38.83000
• Density: 1.206g/cm³
• LogP: 1.24220
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

2,3-EPOXYPROPYL BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)COC(=O)C2=CC=CC=C2

Technology Process of 2,3-Epoxypropyl benzoate

There total 15 articles about 2,3-Epoxypropyl benzoate 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%

oxiranyl-methanol (556-52-5) + benzoyl chloride (98-88-4) → oxiran-2-ylmethyl benzoate (98760-25-9,120787-40-8,121787-43-7,13443-29-3)

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃; for 1h;

Reference yield: 99.0%

1-phenyl-2-hydroxyethanone (582-24-1) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → oxiran-2-ylmethyl benzoate (98760-25-9,120787-40-8,121787-43-7,13443-29-3)

Guidance literature:

With 18-crown-6 ether; oxygen; potassium carbonate; In water; at 80 ℃; for 10h; under 760.051 Torr;

DOI:10.1002/anie.201207206

Reference yield: 95.0%

sodium benzoate (532-32-1) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → oxiran-2-ylmethyl benzoate (98760-25-9,120787-40-8,121787-43-7,13443-29-3)

Guidance literature:

With 15-crown-5; In acetonitrile; for 12h; Ambient temperature;

DOI:10.1080/00397919908086413

upstream raw materials:

oxiranyl-methanol

benzoyl chloride

benzoic acid

epichlorohydrin

Downstream raw materials:

Benzoic acid 2-(3,3-dimethyl-2-oxa-3-silabutyl)-5,5-dimethyl-4-oxa-6-silahexyl ester

Benzoic acid 2-(2,2-dimethyl-1-oxa-3-silapropyl)-6,6-dimethyl-5-oxa-6-silaheptyl ester

Benzoic acid 3-[2-(3,4-dimethoxy-phenyl)-ethylamino]-2-hydroxy-propyl ester

Benzoic acid 2-hydroxy-3-phenylsulfanyl-propyl ester