Diethylene glycol dibenzoate

Base Information

• Chemical Name: Diethylene glycol dibenzoate
• CAS No.: 120-55-8
• Deprecated CAS: 773104-50-0
• Molecular Formula: C18H18O5
• Molecular Weight: 314.338
• Hs Code.: 29163100
• European Community (EC) Number: 204-407-6
• ICSC Number: 0447
• UNII: YAI66YDY1C
• DSSTox Substance ID: DTXSID0026967
• Nikkaji Number: J46.849E
• Wikidata: Q2450581
• Metabolomics Workbench ID: 126903
• ChEMBL ID: CHEMBL2130591
• Mol file: 120-55-8.mol

Synonyms:diethylene glycol dibenzoate

Chemical Property of Diethylene glycol dibenzoate

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 24 °C
• Refractive Index: n20/D 1.544(lit.)
• Boiling Point: 408 °C at 760 mmHg
• Flash Point: 173 °C
• PSA: 61.83000
• Density: 1.183 g/cm³
• LogP: 2.71700
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• Water Solubility.: 微溶于水，溶于一般有机溶剂
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 314.11542367
• Heavy Atom Count: 23
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

Di(ethylene glycol) dibenzoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Ethylene Glycols
• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCOCCOC(=O)C2=CC=CC=C2
• Inhalation Risk: Evaporation at 20 °C is negligible; a nuisance-causing concentration of airborne particles can, however, be reached quickly.
• Effects of Short Term Exposure: The substance is mildly irritating to the eyes and skin.
• Uses: Diethylene Glycol Dibenzoate is used in analytical studies to investigation into the migration potential of coating materials from cookware products.

Technology Process of Diethylene glycol dibenzoate

There total 13 articles about Diethylene glycol 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%

1,9,12,20-Tetraphenyl-2,5,8,10,11,13,16,19,21,22-decaoxa-tricyclo[18.2.0.09,12]docosane (86491-79-4) → diethyleneglycol dibenzoate (120-55-8,9004-86-8)

Guidance literature:

Heating;

DOI:10.1246/cl.1983.431

Reference yield: 98.0%

benzoic acid (65-85-0,8013-63-6) + diethylene glycol (111-46-6) → diethyleneglycol dibenzoate (120-55-8,9004-86-8)

Guidance literature:

With Sb(OAc)2; at 105 ℃; for 48h;

Reference yield: 80.0%

diethylene glycol (111-46-6) + 3,6-dibenzoyloxy-1,2-pyridazine (848417-68-5) → diethyleneglycol dibenzoate (120-55-8,9004-86-8)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 75 - 80 ℃; for 6h;

upstream raw materials:

benzoyl chloride

diethylene glycol

sodium benzoate

3-oxa-1,5-dichloropentane

Downstream raw materials:

acid sodium salt of benzohydroxamic acid