Ethylene dibenzoate

Base Information

• Chemical Name: Ethylene dibenzoate
• CAS No.: 94-49-5
• Deprecated CAS: 1272031-37-4
• Molecular Formula: C16H14 O4
• Molecular Weight: 270.285
• European Community (EC) Number: 202-338-6
• NSC Number: 61739,37158
• DSSTox Substance ID: DTXSID60877972
• Nikkaji Number: J95.467E
• Wikidata: Q82859885
• Mol file: 94-49-5.mol

Synonyms:Ethylene glycol dibenzoate;94-49-5;Ethylene dibenzoate;1,2-Ethanediol, dibenzoate;2-benzoyloxyethyl benzoate;Glycol dibenzoate;Ethylene glycol, dibenzoate;1,2-Bis(benzoyloxy)ethane;Benzoflex e-60;Benzoflex 998;Benzoflex P 200;Benzoflex P-600;Dibenzoyl ethylene glycol;Poly(ethylene glycol) dibenzoate;EINECS 202-338-6;9004-86-8;ETHYLENEGLYCOLDIBENZOATE;ethane-1,2-diyl dibenzoate;NCIOpen2_002773;2-(Benzoyloxy)ethyl benzoate;SCHEMBL137486;1,2-ethylene-glycol Dibenzoate;2-(Benzoyloxy)ethyl benzoate #;DTXSID60877972;1,2-Ethanediol, 1,2-dibenzoate;NSC37158;NSC61739;MFCD00059685;NSC 37158;NSC 61739;NSC-37158;NSC-61739;AKOS003444191;(C2-H4-O)mult-C14-H10-O3;LS-72931;CS-0156542;E0300;FT-0702864;D90476

Chemical Property of Ethylene dibenzoate

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Melting Point: 70°C
• Refractive Index: 1.5447 (estimate)
• Boiling Point: 373.4°C (rough estimate)
• PSA: 52.60000
• Density: 1.2117 (rough estimate)
• LogP: 2.70040
• Water Solubility.: 2.3mg/L at 20℃
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 270.08920892
• Heavy Atom Count: 20
• Complexity: 282

Purity/Quality:

98% ^*data from raw suppliers

Ethylene Glycol Dibenzoate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCOC(=O)C2=CC=CC=C2

Technology Process of Ethylene dibenzoate

There total 77 articles about Ethylene dibenzoate 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%

5,6-Diphenyl-2,3-dihydro-[1,4]dioxine (4344-45-0) → 1,2-ethanediol, dibenzoate (94-49-5,9004-86-8)

Guidance literature:

With Si>-rose bengal; oxygen; In dichloromethane; for 6h; Product distribution; Ambient temperature; Irradiation; Other solvents, other temperatures, other sensitizers;

DOI:10.1021/jo01297a004

Reference yield: 97.9%

benzoyl chloride (98-88-4) → 1,2-ethanediol, dibenzoate (94-49-5,9004-86-8)

Guidance literature:

benzoyl chloride; With ethylene glycol; triethylamine; In ethyl acetate; for 5h; Inert atmosphere;

With hydrogenchloride; In water; ethyl acetate; for 0.166667h;

Reference yield: 90.0%

5,6-Diphenyl-2,3-dihydro-[1,4]dioxine (4344-45-0) → 1,2-ethanediol, dibenzoate (94-49-5,9004-86-8) + benzil (134-81-6)

Guidance literature:

With (Py)CrO(O₂)2; In chloroform; at 0 ℃; further reagent;

DOI:10.1016/0040-4039(88)85108-6

upstream raw materials:

oxirane

benzoyl chloride

(E)-3-Ureido-but-2-enoic acid ethyl ester

benzoic acid

Downstream raw materials:

vinyl benzoate

2-chloroethyl benzoate

benzoic acid

C₉H₁₀O₃

Refernces

• 1、 Bai, Lin,Ding, Shenglong,Ma, Xiaofang. "Solvent-free synthesis of symmetric methylene diestersviadirect reaction of aromatic carboxylates with 1,n-dihaloalkanes". . p. 28711 - 28715. Retrieved 2021/09/22.
• 2、 -. "METHODS FOR DEPOLYMERIZING POLYESTERS". Paragraph 0012; 0058-0059. . Retrieved 2021/10/22.